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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:36513 - cadinane
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ChEBI Ontology
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ChEBI Name
cadinane
ChEBI ID
CHEBI:36513
Definition
A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1
S
,4
S
,4a
S
,6
S
,8a
S
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C15H28
Net Charge
0
Average Mass
208.38282
Monoisotopic Mass
208.21910
InChI
InChI=1S/C15H28/c1-
10(2)
13-
8-
6-
12(4)
14-
7-
5-
11(3)
9-
15(13)
14/h10-
15H,5-
9H2,1-
4H3/t11-
,12-
,13-
,14-
,15-
/m0/s1
InChIKey
FZZNNPQZDRVKLU-YTFOTSKYSA-N
SMILES
[H][C@@]12CC[C@H](C)C[C@@]1([H])[C@@H](CC[C@@H]2C)C(C)C
ChEBI Ontology
Outgoing
cadinane (
CHEBI:36513
)
is a
sesquiterpene (
CHEBI:35189
)
cadinane (
CHEBI:36513
)
is a
terpenoid fundamental parent (
CHEBI:35662
)
Incoming
(+)-8-hydroxycalamenene (
CHEBI:8
)
has parent hydride
cadinane (
CHEBI:36513
)
cadinane sesquiterpenoid (
CHEBI:22975
)
has parent hydride
cadinane (
CHEBI:36513
)
cadinene (
CHEBI:22976
)
has parent hydride
cadinane (
CHEBI:36513
)
IUPAC Name
cadinane
Synonyms
Sources
(1
S
,4
S
,4a
S
,6
S
,8a
S
)-
1,6-
dimethyl-
4-
(propan-
2-
yl)decahydronaphthalene
IUPAC
(1
S
,4
S
,4a
S
,6
S
,8a
S
)-4-isopropyl-1,6-dimethyldecahydronaphthalene
IUPAC
Registry Number
Type
Source
1433
Beilstein Registry Number
Beilstein
Last Modified
19 July 2011