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CHEBI:70567 - (−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene

ChEBI IDCHEBI:70567
ChEBI Name(−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene
Stars
ASCII Name(-)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene
DefinitionA tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC19H26O2
Net Charge0
Average Mass286.415
Monoisotopic Mass286.19328
SMILES[H][C@@]12CC(=O)c3cc(C(C)C)c(O)cc3[C@@]1([H])CCCC2(C)C
InChIInChI=1S/C19H26O2/c1-11(2)13-8-15-14(9-17(13)20)12-6-5-7-19(3,4)16(12)10-18(15)21/h8-9,11-12,16,20H,5-7,10H2,1-4H3/t12-,16-/m1/s1
InChIKeyCCEWUJMXSVJXEO-MLGOLLRUSA-N
Species of MetaboliteComponentSourceComments
Fraxinus sieboldiana (ncbitaxon:490850) stem (BTO:0001300) PubMed (20961093) Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70567) has role plant metabolite (CHEBI:76924)
(−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70567) is a cyclic terpene ketone (CHEBI:36130)
(−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70567) is a phenols (CHEBI:33853)
(−)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70567) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(4aS,10aR)-6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
Registry NumbersSources
Reaxys:21097453Reaxys
Citations