CHEBI:36513 - cadinane

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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 (1S,4S,4aS,6S,8aS)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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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
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene IUPAC
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene IUPAC
Registry Number Type Source
1433 Beilstein Registry Number Beilstein
Last Modified
19 July 2011