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CHEBI:63446 - (−)-cubebol

Default Structure
ChEBI IDCHEBI:63446
ChEBI Name(−)-cubebol
Stars
ASCII Name(-)-cubebol
DefinitionA tertiary alcohol resulting from the formal addition of water to the double bond of α-cubebene.
Last Modified12 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]12[C@H](C(C)C)CC[C@@H](C)[C@]13CC[C@](C)(O)[C@]23[H]
InChIInChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1
InChIKeyKONGRWVLXLWGDV-BYGOPZEFSA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-cubebol (CHEBI:63446) is a carbotricyclic compound (CHEBI:38032)
(−)-cubebol (CHEBI:63446) is a sesquiterpenoid (CHEBI:26658)
(−)-cubebol (CHEBI:63446) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Synonyms  Source
(−)-(1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.01,5]decan-4-olChEBI
(1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.01,5]decan-4-olChEBI
cubeb camphorChemIDplus
(−)-cubebolChemIDplus
UniProt Name  Source
cubebolUniProt
Manual XrefsDatabases
EP2365070Patent
US7790426Patent
Registry NumbersSources
CAS:23445-02-5ChemIDplus
Citations