CHEBI:70553 - (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal
ChEBI ID CHEBI:70553
ChEBI ASCII Name (-)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-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 ZINC000096086436
Download Molfile XML SDF
Formula C20H26O3
Net Charge 0
Average Mass 314.41860
Monoisotopic Mass 314.18819
InChI InChI=1S/C20H26O3/c1-12(2)13-10-19-8-5-15-18(3)6-4-7-20(15,16(19)9-14(13)21)17(23-19)22-11-18/h9-10,12,15,17H,4-8,11H2,1-3H3/t15-,17-,18+,19+,20+/m0/s1
InChIKey OUHYDBUWCBLVQF-LFAQGZIKSA-N
SMILES CC(C)C1=C[C@@]23CC[C@@H]4[C@]5(CCC[C@]4(C)CO[C@H]5O2)C3=CC1=O
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,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) has role plant metabolite (CHEBI:76924)
(−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a abietane diterpenoid (CHEBI:36762)
(−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a bridged compound (CHEBI:35990)
(−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a cyclic terpene ketone (CHEBI:36130)
IUPAC Name
(20S)-8,20:19,20-diepoxyabieta-9(11),13-dien-12-one
Registry Number Type Source
21097460 Reaxys Registry Number Reaxys
Citation Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015