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(-)-Ambroxide

UUID 88ec4caf-4802-4337-b78c-bbd748af100f
Flow Object IDfo-5dcbd74743aa9a0b
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 6790-58-5
EC Numbers 229-861-2
prefLabel
Language Value Provenance
en (-)-Ambroxide
altLabel
Language Value Provenance
en (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan
en 8alpha,12-Oxido-13,14,15,16-tetranorlabdane
en Ambroxide
en ambrox
en (-)-Ambrox
en (-)-Ambroxan
en (-)-Norlabdane oxide
en (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3<em>a</em>,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan
en (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan
en (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-<em>b</em>]furan
en (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Naphtho[2,1-<em>b</em>]furan,dodecahydro-3a,6,6,9a-tetramethyl-
en Amberlyn Super
en Amberlyn Super PM 577
en Ambermor Ex
en Ambrafuran
en Ambrofix
en Ambroxane
en Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-
en Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3a<em>R</em>-(3aα,5aβ,9aα,9bβ)]-
en (-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan
Definitions
Language Value Provenance
en A diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales).
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YPZUZOLGGMJZJO-LQKXBSAESA-N
InChI InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1
IUPAC name (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran, (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran
Molecular formula C16H28O
Molecular mass 236.399
Monoisotopic mass 236.21402
SMILES CC1(CCCC2(C1CCC3(C2CCO3)C)C)C, C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C, [H][C@]12CCO[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 88ec4caf-4802-4337-b78c-bbd748af100f (-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan Emissions/Emissions to soil/Emissions to non-agricultural soil 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=(-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6790-58-5; added Common Chemistry CAS names as altLabel: (-)-Ambrox, (-)-Ambroxan, (-)-Ambroxide, (-)-Norlabdane oxide, (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3<em>a</em>,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan, (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-<em>b</em>]furan, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Naphtho[2,1-<em>b</em>]furan,dodecahydro-3a,6,6,9a-tetramethyl-, Amberlyn Super, Amberlyn Super PM 577, Ambermor Ex, Ambrafuran, Ambrofix, Ambroxane, Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-, Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3a<em>R</em>-(3aα,5aβ,9aα,9bβ)]-; object_uuid=fo-5dcbd74743aa9a0b
cas_match_labels 1 consensus_match group_key=(-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory']; cas_sources={'6790-58-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5dcbd74743aa9a0b: {'6790-58-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '8alpha,12-Oxido-13,14,15,16-tetranorlabdane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:8alpha,12-Oxido-13,14,15,16-tetranorlabdane', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ambroxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ambroxide', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ambrox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ambrox', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '8alpha,12-Oxido-13,14,15,16-tetranorlabdane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:8alpha,12-Oxido-13,14,15,16-tetranorlabdane', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ambroxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ambroxide', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ambrox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ambrox', 'http://purl.obolibrary.org/obo/CHEBI_78307', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Ambrox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-Ambroxan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-Ambroxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-Norlabdane oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3<em>a</em>,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-<em>b</em>]furan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Naphtho[2,1-<em>b</em>]furan,dodecahydro-3a,6,6,9a-tetramethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Amberlyn Super', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Amberlyn Super PM 577', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ambermor Ex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ambrafuran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ambrofix', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ambroxane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3a<em>R</em>-(3aα,5aβ,9aα,9bβ)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6790-58-5', 'https://commonchemistry.cas.org/detail?cas_rn=6790-58-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=6790-58-5; added Common Chemistry CAS names as altLabel: (-)-Ambrox, (-)-Ambroxan, (-)-Ambroxide, (-)-Norlabdane oxide, (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3<em>a</em>,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan, (3<em>a</em>R,5<em>a</em>S,9<em>a</em>S,9<em>b</em>R)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<em>b</em>]furan, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-<em>b</em>]furan, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-Naphtho[2,1-<em>b</em>]furan,dodecahydro-3a,6,6,9a-tetramethyl-, Amberlyn Super, Amberlyn Super PM 577, Ambermor Ex, Ambrafuran, Ambrofix, Ambroxane, Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3a<em>R</em>,5a<em>S</em>,9a<em>S</em>,9b<em>R</em>)-, Naphtho[2,1-<em>b</em>]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3a<em>R</em>-(3aα,5aβ,9aα,9bβ)]-; object_uuid=fo-5dcbd74743aa9a0b
cas_match_labels None {'6790-58-5': 'exactMatch'} group_key=(-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory']; cas_sources={'6790-58-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5dcbd74743aa9a0b: {'6790-58-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "88ec4caf-4802-4337-b78c-bbd748af100f",
  "name": null,
  "cas_numbers": [
    "6790-58-5"
  ],
  "ec_numbers": [
    "229-861-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3.782
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3.782
    }
  ],
  "source": "EF 3.1",
  "identifier": "88ec4caf-4802-4337-b78c-bbd748af100f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "88ec4caf-4802-4337-b78c-bbd748af100f",
      "source_flow_name": "(-)-(3ar,5as,9as,9br)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "(-)-Ambroxide",
      "@language": "en",
      "source": {
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    "references": "enrich_references",
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    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
        "C16H28O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      "provenance": [
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