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> Main
CHEBI:64799 - β-copaene
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ChEBI Name
β-copaene
ChEBI ID
CHEBI:64799
ChEBI ASCII Name
beta-copaene
Definition
A sesquiterpene that is tricyclo[4.4.0.0
2,7
]decane bearing methyl, isopropyl and methylene substituents at positions 1, 8 and 3 respectively (the 1
S
,6
S
,7
S
,8
S
-diastereomer)
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C15H24
Net Charge
0
Average Mass
204.35110
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-
9(2)
11-
7-
8-
15(4)
12-
6-
5-
10(3)
14(15)
13(11)
12/h9,11-
14H,3,5-
8H2,1-
2,4H3/t11-
,12-
,13-
,14?,15-
/m0/s1
InChIKey
UPVZPMJSRSWJHQ-XIQJJJERSA-N
SMILES
[H][C@@]12[C@@H](CC[C@]3(C)C1C(=C)CC[C@@]23[H])C(C)C
ChEBI Ontology
Outgoing
β-copaene (
CHEBI:64799
)
is a
bridged compound (
CHEBI:35990
)
β-copaene (
CHEBI:64799
)
is a
sesquiterpene (
CHEBI:35189
)
IUPAC Name
(1
S
,6
S
,7
S
,8
S
)-
1-
methyl-
3-
methylene-
8-
(propan-
2-
yl)-
tricyclo[4.4.0.0
2,7
]decane
Synonyms
Sources
(1
S
,6
S
,7
S
,8
S
)-
8-
isopropyl-
1-
methyl-
3-
methylenetricyclo[4.4.0.0
2,7
]decane
IUPAC
β-copaene
UniProt
Manual Xref
Database
CPD-8740
MetaCyc
View more database links
Registry Number
Type
Source
8110676
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19400802
PubMed citation
SUBMITTER
20419721
PubMed citation
SUBMITTER
21250484
PubMed citation
Europe PMC
Last Modified
07 June 2012