(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70556)

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ChEBI Name	(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone

ChEBI ID	CHEBI:70556

ChEBI ASCII Name	(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-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

C20H26O4

Net Charge

Average Mass

330.41800

Monoisotopic Mass

330.18311

InChI

InChI=1S/C20H26O4/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/h8-10,15-17,21-22H,5-7H2,1-4H3/t15-,16-,17+,20+/m1/s1

InChIKey

WTPQRFSKUFBXKY-WWNBULGVSA-N

SMILES

CC(C)c1cc2[C@@H](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,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70556) has role plant metabolite (CHEBI:76924) (+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70556) is a abietane diterpenoid (CHEBI:36762) (+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70556) is a diterpene lactone (CHEBI:49193) (+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70556) is a tetracyclic diterpenoid (CHEBI:52557)

IUPAC Name

(6β,7β)-7,12-dihydroxy-6,20-epoxyabieta-8,11,13-trien-20-one

Registry Number	Type	Source
21097468	Reaxys Registry Number	Reaxys

Citation	Type	Source
20961093	PubMed citation	Europe PMC

Last Modified

14 April 2015