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Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)

Flow Object IDfo-c5d386e9dbb2a924
TypeConsensus
prefLabel
Label Language
Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal) en
Alt Labels
Label Language Provenance
Estr-4-ene-3,11,17-trione 3-(ethylene Dithioketal) 17-(2,2-dimethylpropane-1,3-diyl Ketal) en —
CAS Numbers1174931-74-8
EC Numbers695-716-9
Changes Applied26

Properties

Predicate Value
InChIKey SSJYBSOACNDCSG-ILZLQZNLSA-N
InChI InChI=1S/C25H36O3S2/c1-22(2)14-27-25(28-15-22)9-7-19-18-5-4-16-12-24(29-10-11-30-24)8-6-17(16)21(18)20(26)13-23(19,25)3/h12,17-19,21H,4-11,13-15H2,1-3H3/t17-,18-,19-,21+,23-/m0/s1
Molecular formula C25H36O3S2
SMILES CC1(COC2(CCC3C2(CC(=O)C4C3CCC5=CC6(CCC45)SCCS6)C)OC1)C, C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CCC24OCC(CO4)(C)C)CCC5=CC6(CC[C@H]35)SCCS6

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
2345f194… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
c1d14486… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
ae374268… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
b3478443… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
467dfc38… EF 3.1 kg Environmental → Air → Unknown 2 2
aeebaa0a… EF 3.1 kg Environmental → Air → Unknown 2 2
e648e9ae… EF 3.1 kg Environmental → Ground → Agricultural 2 2
4536528f… EF 3.1 kg Environmental → Ground → Unknown 2 2
a4cca0b3… EF 3.1 kg Environmental → Water → Ocean 2 2
b87799bf… EF 3.1 kg Environmental → Water → Surface water 2 2
300af2e4… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
2345f194… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
2345f194… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
300af2e4… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
300af2e4… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
4536528f… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
4536528f… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
467dfc38… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
467dfc38… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
5ce3753b… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
5ce3753b… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
a4cca0b3… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
a4cca0b3… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
ae374268… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
ae374268… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
aeebaa0a… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
aeebaa0a… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
b3478443… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
b3478443… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
b87799bf… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
b87799bf… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
c1d14486… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
c1d14486… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
c39f541f… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
c39f541f… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}
e648e9ae… altLabel — [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1174931-74-8","https://commonchemistry.cas.org/detail?cas_rn=1174931-74-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924
e648e9ae… cas_match_labels — {"1174931-74-8":"exactMatch"} group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'}

Flow Object JSON

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  "altLabel": [
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      "@value": "Estr-4-ene-3,11,17-trione 3-(ethylene Dithioketal) 17-(2,2-dimethylpropane-1,3-diyl Ketal)",
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