CHEBI:70561 - (4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal

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ChEBI Name (4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
ChEBI ID CHEBI:70561
ChEBI ASCII Name (4S,5S,10R,20S)-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 ZINC000096086436
Download Molfile XML SDF
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-HAGHYFMRSA-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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70561) has role plant metabolite (CHEBI:76924)
(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70561) is a abietane diterpenoid (CHEBI:36762)
(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70561) is a cyclic ether (CHEBI:37407)
(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70561) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(20S)-19,20-epoxyabieta-8,11,13-triene-12,20-diol
Registry Number Type Source
21097471 Reaxys Registry Number Reaxys
Citation Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015