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CHEBI:68658 - (+)-epi-α-bisabolol

ChEBI IDCHEBI:68658
ChEBI Name(+)-epi-α-bisabolol
Stars
ASCII Name(+)-epi-alpha-bisabolol
DefinitionA sesquiterpenoid that is bisabolane having double bonds at positions 2 and 9 as well as a hydroxy substituent at position 7.
Last Modified9 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]1([C@@](C)(O)CCC=C(C)C)CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyRGZSQWQPBWRIAQ-GJZGRUSLSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-epi-α-bisabolol (CHEBI:68658) has parent hydride bisabolane (CHEBI:36480)
(+)-epi-α-bisabolol (CHEBI:68658) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
UniProt Name  Source
(+)-epi-α-bisabololUniProt
Manual XrefsDatabases
WO2008105632Patent
Registry NumbersSources
Reaxys:3082343Reaxys
Citations