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α-copaene (CHEBI:10221)

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ChEBI Name α-copaene
ChEBI ID CHEBI:10221
ChEBI ASCII Name alpha-copaene
Definition A sesquiterpene that is tricyclo[4.4.0.02,7]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula Source
C15H24 ChEBI
Net Charge 0
Average Mass 204.35110
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKey
VLXDPFLIRFYIME-XIQJJJERSA-N
SMILES
[H][C@@]12[C@@H](CC[C@]3(C)C1C(C)=CC[C@@]23[H])C(C)C
ChEBI Ontology
Outgoing α-copaene (CHEBI:10221) is a bridged compound (CHEBI:35990)
α-copaene (CHEBI:10221) is a sesquiterpene (CHEBI:35189)
IUPAC Name
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.02,7]dec-3-ene
Synonyms Sources
(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene IUPAC
8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene ChemIDplus
alpha-Copaene KEGG COMPOUND
α-copaene UniProt
Copaene KEGG COMPOUND
Database Links Databases
C00003118 KNApSAcK
C09639 KEGG COMPOUND
Copaene Wikipedia
CPD-8234 MetaCyc
View more database links
Registry Numbers Types Sources
3856-25-5 CAS Registry Number NIST Chemistry WebBook
3856-25-5 CAS Registry Number ChemIDplus
8910321 Reaxys Registry Number Reaxys
Last Modified
04 August 2014

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