Description
Blumenol B is natural sesquiterpenoid isolated from the herbs of Rosa multiflora Thunb.
Synonyms
(4S)-4-Hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-2-cyclohex en-1-one
IUPAC Name
(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Formula
C13H22O3
Canonical SMILES
CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
InChIKey
CWOFGGNDZOPNFG-ZWNOBZJWSA-N