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(6S,9R)-vomifoliol

Go to external page http://purl.obolibrary.org/obo/CHEBI_49164

A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9.

Term info

Label

(6S,9R)-vomifoliol

Synonyms
  • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
  • (6S,9R)-vomifoliol
database cross reference
Subsets

3_STAR

IUPAC NAME
(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one [ IUPAC ]

charge

0

formula

C13H20O3

has alternative id

CHEBI:49157, CHEBI:10020

has obo namespace

chebi_ontology

has related synonym

(6S,9R)-6-hydroxy-3-oxo-alpha-ionol, Blumenol A, Vomifoliol, (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one, (6S,9R)-6-Hydroxy-3-oxo-alpha-ionol

id

CHEBI:49164

inchi

InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1

inchikey

KPQMCAKZRXOZLB-KOIHBYQTSA-N

mass

224.29610

monoisotopicmass

224.14124

smiles

C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C