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CHEBI:70566 - (+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene

ChEBI IDCHEBI:70566
ChEBI Name(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene
Stars
ASCII Name(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene
DefinitionA tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CC(=O)c3cc(C(C)C)c(O)cc3[C@@]1(O)CCCC2(C)C
InChIInChI=1S/C19H26O3/c1-11(2)12-8-13-14(9-15(12)20)19(22)7-5-6-18(3,4)17(19)10-16(13)21/h8-9,11,17,20,22H,5-7,10H2,1-4H3/t17-,19-/m0/s1
InChIKeyDVAGATJJKFDUDE-HKUYNNGSSA-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)
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70566) has role plant metabolite (CHEBI:76924)
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70566) is a cyclic terpene ketone (CHEBI:36130)
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70566) is a phenols (CHEBI:33853)
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70566) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(4aR,10aS)-4a,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
Registry NumbersSources
Reaxys:21097456Reaxys
Citations