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CHEBI:36513 - cadinane

ChEBI IDCHEBI:36513
ChEBI Namecadinane
Stars
DefinitionA 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.
Last Modified19 July 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H28
Net Charge0
Average Mass208.389
Monoisotopic Mass208.21910
SMILES[H][C@@]12CC[C@H](C)C[C@@]1([H])[C@H](C(C)C)CC[C@@H]2C
InChIInChI=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
InChIKeyFZZNNPQZDRVKLU-YTFOTSKYSA-N
ChEBI Ontology
Outgoing Relation(s)
cadinane (CHEBI:36513) is a sesquiterpene (CHEBI:35189)
cadinane (CHEBI:36513) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
(+)-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  Source
(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthaleneIUPAC
(1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthaleneIUPAC
Registry NumbersSources
Beilstein:1433Beilstein