CHEBI:70559 - (−)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal

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ChEBI Name (−)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal
ChEBI ID CHEBI:70559
ChEBI ASCII Name (-)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal
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 C20H26O3
Net Charge 0
Average Mass 314.41860
Monoisotopic Mass 314.18819
InChI InChI=1S/C20H26O3/c1-11(2)12-7-13-14(8-15(12)21)20-6-4-5-19(3)10-22-18(20)23-16(13)9-17(19)20/h7-8,11,16-18,21H,4-6,9-10H2,1-3H3/t16-,17-,18+,19+,20-/m0/s1
InChIKey PNHPVNJXLPYREE-OMZCGLGVSA-N
SMILES CC(C)c1cc2[C@@H]3C[C@H]4[C@]5(C)CCC[C@]4([C@@H](OC5)O3)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,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal (CHEBI:70559) has role plant metabolite (CHEBI:76924)
(−)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal (CHEBI:70559) is a abietane diterpenoid (CHEBI:36762)
(−)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal (CHEBI:70559) is a bridged compound (CHEBI:35990)
(−)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal (CHEBI:70559) is a cyclic ether (CHEBI:37407)
IUPAC Name
(5S,6aS,9S,12aR,13S)-9-methyl-3-(propan-2-yl)-9,10,11,12-tetrahydro-5H,6aH,8H-9,12a,5-(ethane[1,1,2]triyl)oxocino[2,3-c][2]benzopyran-2-ol
Synonym Source
(7α,20S)-7,20:18,20-diepoxyabieta-8,11,13-trien-12-ol ChEBI
Citation Waiting for Citations Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015