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

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

ChEBI ID	CHEBI:70572

ChEBI ASCII Name	(+)-(5S,7R)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene

Definition	A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C21H28O3

Net Charge

Average Mass

328.44520

Monoisotopic Mass

328.20384

InChI

InChI=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

InChIKey

PBWYWMUNSHLHRZ-UYAOXDASSA-N

SMILES

CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(cc12)C(C)C

Metabolite of Species	Details
Fraxinus sieboldiana (NCBI:txid490850)	Found in stem (BTO:0001300). Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark See: PubMed

Roles Classification
Biological Role(s):	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	(+)-(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 Number	Type	Source
21097457	Reaxys Registry Number	Reaxys

Citation	Type	Source
20961093	PubMed citation	Europe PMC

Last Modified

14 April 2015