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> Main
CHEBI:64281 - sclarene
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ChEBI Ontology
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ChEBI Name
sclarene
ChEBI ID
CHEBI:64281
Definition
A diterpene that consists of a labdane skeleton with double bonds at C-8(17), C-13(16) and C-14.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C20H32
Net Charge
0
Average Mass
272.46810
Monoisotopic Mass
272.25040
InChI
InChI=1S/C20H32/c1-
7-
15(2)
9-
11-
17-
16(3)
10-
12-
18-
19(4,5)
13-
8-
14-
20(17,18)
6/h7,17-
18H,1-
3,8-
14H2,4-
6H3/t17-
,18-
,20+/m0/s1
InChIKey
KYLKKZSVPLUGCC-CMKODMSKSA-N
SMILES
[H][C@]1(CCC(=C)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C
ChEBI Ontology
Outgoing
sclarene (
CHEBI:64281
)
has parent hydride
labdane (
CHEBI:36505
)
sclarene (
CHEBI:64281
)
is a
diterpene (
CHEBI:35190
)
IUPAC Name
(4a
S
,5
S
,8a
S
)-
1,1,4a-
trimethyl-
6-
methylene-
5-
(3-
methylenepent-
4-
en-
1-
yl)decahydronaphthalene
Synonyms
Sources
(+)-sclarene
ChEBI
Δ
8,17.13,16.14
-labdatriene
ChEBI
labda-8(17),13(16),14-triene
ChEBI
sclarene
UniProt
Manual Xref
Database
CPD-14025
MetaCyc
View more database links
Registry Numbers
Types
Sources
2523112
Reaxys Registry Number
Reaxys
511-02-4
CAS Registry Number
Reaxys
Citations
Types
Sources
10793256
PubMed citation
Europe PMC
12710734
PubMed citation
Europe PMC
20397107
PubMed citation
Europe PMC
21404436
PubMed citation
Europe PMC
IND43636008
Agricola citation
Europe PMC
Last Modified
26 March 2012