CHEBI:70560 - (4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal

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ChEBI Name (4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
ChEBI ID CHEBI:70560
ChEBI ASCII Name (4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
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
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Formula C20H28O3
Net Charge 0
Average Mass 316.43450
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18+,19+,20-/m0/s1
InChIKey QVGFDWPRYXYPGU-NMLBUPMWSA-N
SMILES CC(C)c1cc2CC[C@H]3[C@]4(C)CCC[C@]3([C@H](O)OC4)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.
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ChEBI Ontology
Outgoing (4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) has role plant metabolite (CHEBI:76924)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a abietane diterpenoid (CHEBI:36762)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a cyclic ether (CHEBI:37407)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(20R)-19,20-epoxyabieta-8,11,13-triene-12,20-diol
Registry Number Type Source
21097470 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015