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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)

UUID ae374268-0ae8-466f-9e33-66e12ddb33f9
Flow Object IDfo-c5d386e9dbb2a924
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 1174931-74-8
EC Numbers 695-716-9
prefLabel
Language Value Provenance
en Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal)
altLabel ⓘ
Language Value Provenance
en Estr-4-ene-3,11,17-trione 3-(ethylene Dithioketal) 17-(2,2-dimethylpropane-1,3-diyl Ketal)
References
Shared 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

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ae374268-0ae8-466f-9e33-66e12ddb33f9 estr-4-ene-3,11,17-trione 3-(ethylene dithioketal) 17-(2,2-dimethylpropane-1,3-diyl ketal)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 estr-4-ene-3,11,17-trione 3-(ethylene dithioketal) 17-(2,2-dimethylpropane-1,3-diyl ketal) Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match 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
cas_match_labels 1 — consensus_match 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'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@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
cas_match_labels None {'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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