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(1S,2R,4S)-(-)-Bornyl acetate

UUID 4c2139df-9f39-42ed-9d43-50598a88d644
Flow Object IDfo-13288974235383a1
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 5655-61-8
EC Numbers 227-101-4
prefLabel
Language Value Provenance
en (1S,2R,4S)-(-)-Bornyl acetate
altLabel
Language Value Provenance
en (-)-Borneol acetate
en (-)-Bornyl acetate
en (1<em>S</em>)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate
en (1<em>S</em>-<em>endo</em>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
en 1<em>S</em>-<em>endo</em>-Bornyl acetate
en <em>l</em>-Bornyl acetate
en <em>levo</em>-Bornyl acetate
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-
en Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>-<em>endo</em>)-
en Borneol, <em>l</em>-, acetate
en Borneol, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-(-)-
en 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Acetate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey KGEKLUUHTZCSIP-SQLBVSGCSA-N
InChI InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1
IUPAC name [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate, [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ethanoate, [(2R)-1,7,7-trimethylnorbornan-2-yl] acetate, acetic acid [(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] ester, acetic acid [(2R)-1,7,7-trimethylnorbornan-2-yl] ester
Molecular formula C12H20O2
Molecular mass 196.29
Monoisotopic mass 196.14633
SMILES CC(=O)OC1CC2CCC1(C2(C)C)C, CC(=O)O[C@@H]1CC2CCC1(C2(C)C)C, [H][C@@]1(OC(C)=O)CC2CCC1(C)C2(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4c2139df-9f39-42ed-9d43-50598a88d644 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate Emissions/Emissions to water/Emissions to sea water 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=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Ground > geography=Unknown; cas=5655-61-8; added Common Chemistry CAS names as altLabel: (-)-Borneol acetate, (-)-Bornyl acetate, (1<em>S</em>)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate, (1<em>S</em>-<em>endo</em>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate, 1<em>S</em>-<em>endo</em>-Bornyl acetate, <em>l</em>-Bornyl acetate, <em>levo</em>-Bornyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>-<em>endo</em>)-, Borneol, <em>l</em>-, acetate, Borneol, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-(-)-; object_uuid=fo-13288974235383a1
cas_match_labels 1 consensus_match group_key=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'5655-61-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-13288974235383a1: {'5655-61-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1S,2R,4S)-(-)-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2R,4S)-(-)-Bornyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_157', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1S,2R,4S)-(-)-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2R,4S)-(-)-Bornyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_157', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Borneol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>-<em>endo</em>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>S</em>-<em>endo</em>-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>l</em>-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>levo</em>-Bornyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>-<em>endo</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Borneol, <em>l</em>-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Borneol, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-(-)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5655-61-8', 'https://commonchemistry.cas.org/detail?cas_rn=5655-61-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Ground > geography=Unknown; cas=5655-61-8; added Common Chemistry CAS names as altLabel: (-)-Borneol acetate, (-)-Bornyl acetate, (1<em>S</em>)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate, (1<em>S</em>-<em>endo</em>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate, 1<em>S</em>-<em>endo</em>-Bornyl acetate, <em>l</em>-Bornyl acetate, <em>levo</em>-Bornyl acetate, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1<em>S</em>-<em>endo</em>)-, Borneol, <em>l</em>-, acetate, Borneol, acetate, (1<em>S</em>,2<em>R</em>,4<em>S</em>)-(-)-; object_uuid=fo-13288974235383a1
cas_match_labels None {'5655-61-8': 'exactMatch'} group_key=1,7,7-trimethylbicyclo[2.2.1]hept-2-ylacetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'5655-61-8': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-13288974235383a1: {'5655-61-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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