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CHEBI:138041 - (+)-4-epi-cubebol

ChEBI IDCHEBI:138041
ChEBI Name(+)-4-epi-cubebol
Stars
ASCII Name(+)-4-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,3aS,3bS,4R,7S,7aS 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-DEPYFDJDSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-4-epi-cubebol (CHEBI:138041) is a carbotricyclic compound (CHEBI:38032)
(+)-4-epi-cubebol (CHEBI:138041) is a sesquiterpenoid (CHEBI:26658)
(+)-4-epi-cubebol (CHEBI:138041) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,3aS,3bS,4R,7S,7aS)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Synonyms  Source
(3S,3aS,3bS,4R,7S,7aS)-4-(2-hydroxypropan-2-yl)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-olSUBMITTER
(+)-4-epicubebolChEBI
UniProt Name  Source
4-epi-cubebolUniProt
Manual XrefsDatabases
CPD-20135MetaCyc
Citations