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CHEBI:138045 - (−)-10-epi-cubebol

ChEBI IDCHEBI:138045
ChEBI Name(−)-10-epi-cubebol
Stars
ASCII Name(-)-10-epi-cubebol
DefinitionA sesquiterpenoid consisting of octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol carrying two additional methyl substituents at positions 3 and 7 as well as an isopropyl substituent at position 4 (the 3S,3aR,3bR,4S,7S,7aR diastereomer).
Last Modified13 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+/m0/s1
InChIKeyKONGRWVLXLWGDV-RODWMJHOSA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-10-epi-cubebol (CHEBI:138045) is a carbotricyclic compound (CHEBI:38032)
(−)-10-epi-cubebol (CHEBI:138045) is a sesquiterpenoid (CHEBI:26658)
(−)-10-epi-cubebol (CHEBI:138045) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,3aR,3bR,4S,7S,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Synonym  Source
(−)-10-epicubebolChEBI
UniProt Name  Source
10-epi-cubebolUniProt
Registry NumbersSources
Reaxys:20299511Reaxys
Citations