(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558)

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ChEBI Name	(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone

ChEBI ID	CHEBI:70558

ChEBI ASCII Name	(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone

Definition	An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O4

Net Charge

Average Mass

328.40220

Monoisotopic Mass

328.16746

InChI

InChI=1S/C20H24O4/c1-10(2)11-8-12-13(9-14(11)21)20-7-5-6-19(3,4)17(20)16(15(12)22)24-18(20)23/h8-10,16-17,21H,5-7H2,1-4H3/t16-,17+,20+/m1/s1

InChIKey

VUAJCLNFGUYDIL-UWVAXJGDSA-N

SMILES

CC(C)c1cc2C(=O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)c2cc1O

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,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) has role plant metabolite (CHEBI:76924) (+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a abietane diterpenoid (CHEBI:36762) (+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a cyclic terpene ketone (CHEBI:36130) (+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a diterpene lactone (CHEBI:49193) (+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a tetracyclic diterpenoid (CHEBI:52557)

IUPAC Name

(6α)-12-hydroxy-6,20-epoxyabieta-8,11,13-triene-7,20-dione

Registry Number	Type	Source
21097461	Reaxys Registry Number	Reaxys

Citation	Type	Source
20961093	PubMed citation	Europe PMC

Last Modified

14 April 2015