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Tert-butyl {(1s,3s)-3-{(s)- Hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate

UUID 1540a79e-db04-42ea-9ca5-344452aa5a6d
Flow Object IDfo-29226426d915e5a2
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 934841-33-5
EC Numbers 700-317-0
prefLabel
Language Value Provenance
en Tert-butyl {(1s,3s)-3-{(s)- Hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate
altLabel ⓘ
Language Value Provenance
en 1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate
en Carbamic acid, <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester
References
Shared Properties
Predicate Value
InChIKey LNEJMHYXEHINSY-KTEHOTQVSA-N, LNEJMHYXEHINSY-YLVPTJAHSA-N
InChI InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-,27?/m0/s1, InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21?,22-,23?,25-,27?/m0/s1
IUPAC name N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-keto-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamic acid tert-butyl ester, N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yl-2-oxolanyl]pentyl]carbamic acid tert-butyl ester, N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-keto-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamic acid tert-butyl ester, N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yl-2-oxolanyl]pentyl]carbamic acid tert-butyl ester, tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]-oxidanyl-methyl]-4-methyl-1-[(2S,4S)-5-oxidanylidene-4-propan-2-yl-oxolan-2-yl]pentyl]carbamate, tert-butyl N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamate, tert-butyl N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate, tert-butyl N-[3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]-oxidanyl-methyl]-4-methyl-1-[(2S,4S)-5-oxidanylidene-4-propan-2-yl-oxolan-2-yl]pentyl]carbamate, tert-butyl N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamate, tert-butyl N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
Molecular formula C30H49NO8
SMILES CC(C)C1CC(OC1=O)C(CC(C(C)C)C(C2=CC(=C(C=C2)OC)OCCCOC)O)NC(=O)OC(C)(C)C, CC(C)[C@@H]1C[C@H](OC1=O)C(CC(C(C)C)C(C2=CC(=C(C=C2)OC)OCCCOC)O)NC(=O)OC(C)(C)C, CC(C)[C@@H]1C[C@H](OC1=O)[C@H](C[C@@H](C(C)C)C(C2=CC(=C(C=C2)OC)OCCCOC)O)NC(=O)OC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1540a79e-db04-42ea-9ca5-344452aa5a6d tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate Emissions/Emissions to water/Emissions to water, unspecified 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=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; cas=934841-33-5; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate, Carbamic acid, <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester; object_uuid=fo-29226426d915e5a2
cas_match_labels 1 — consensus_match group_key=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'934841-33-5': []}; assigned CAS labels from group consensus; object_uuid=fo-29226426d915e5a2: {'934841-33-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:934841-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=934841-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbamic acid, <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:934841-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=934841-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; cas=934841-33-5; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethyl <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate, Carbamic acid, <em>N</em>-[(1<em>S</em>,3<em>S</em>)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2<em>S</em>,4<em>S</em>)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester; object_uuid=fo-29226426d915e5a2
cas_match_labels None {'934841-33-5': 'exactMatch'} group_key=tert-butyl{(1s,3s)-3-{(s)-hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl]pentyl}carbamate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'934841-33-5': []}; assigned CAS labels from group consensus; object_uuid=fo-29226426d915e5a2: {'934841-33-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 332.07
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  "source": "EF 3.1",
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        "N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-keto-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamic acid tert-butyl ester",
        "N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yl-2-oxolanyl]pentyl]carbamic acid tert-butyl ester",
        "N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-keto-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamic acid tert-butyl ester",
        "N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yl-2-oxolanyl]pentyl]carbamic acid tert-butyl ester",
        "tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]-oxidanyl-methyl]-4-methyl-1-[(2S,4S)-5-oxidanylidene-4-propan-2-yl-oxolan-2-yl]pentyl]carbamate",
        "tert-butyl N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamate",
        "tert-butyl N-[(1S,3S)-3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate",
        "tert-butyl N-[3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]-oxidanyl-methyl]-4-methyl-1-[(2S,4S)-5-oxidanylidene-4-propan-2-yl-oxolan-2-yl]pentyl]carbamate",
        "tert-butyl N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-1-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]-4-methyl-pentyl]carbamate",
        "tert-butyl N-[3-[hydroxy-[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate"
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  "altLabel": [
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