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CHEBI:70572 - (+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene

ChEBI IDCHEBI:70572
ChEBI Name(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
Stars
ASCII Name(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
DefinitionA tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@@]12C[C@@H](OCC)c3cc(C(C)C)c(O)cc3C1=CC(=O)CC2(C)C
InChIInChI=1S/C21H28O3/c1-6-24-20-10-18-16(7-13(22)11-21(18,4)5)15-9-19(23)14(12(2)3)8-17(15)20/h7-9,12,18,20,23H,6,10-11H2,1-5H3/t18-,20-/m1/s1
InChIKeyPBWYWMUNSHLHRZ-UYAOXDASSA-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,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70572) has role plant metabolite (CHEBI:76924)
(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70572) is a cyclic terpene ketone (CHEBI:36130)
(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70572) is a ether (CHEBI:25698)
(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70572) is a phenols (CHEBI:33853)
(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70572) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(9R,10aS)-9-ethoxy-6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-1,9,10,10a-tetrahydrophenanthren-3(2H)-one
Registry NumbersSources
Reaxys:21097457Reaxys
Citations