CHEBI:70565 - (−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal

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ChEBI Name (−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal
ChEBI ID CHEBI:70565
ChEBI ASCII Name (-)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl 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 ZINC000072128478
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-5-25-20-22-8-6-7-21(4,12-26-20)19(22)11-18(24)15-9-14(13(2)3)17(23)10-16(15)22/h9-10,13,19-20,23H,5-8,11-12H2,1-4H3/t19-,20+,21+,22-/m0/s1
InChIKey AVCUMQCXLPRLSN-CBPXPLCBSA-N
SMILES CCO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CC(=O)c2cc(C(C)C)c(O)cc12
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,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70565) has role plant metabolite (CHEBI:76924)
(−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70565) is a abietane diterpenoid (CHEBI:36762)
(−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70565) is a cyclic ether (CHEBI:37407)
(−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70565) is a cyclic terpene ketone (CHEBI:36130)
(−)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70565) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(20R)-20-ethoxy-12-hydroxy-19,20-epoxyabieta-8,11,13-trien-7-one
Registry Number Type Source
21097474 Reaxys Registry Number Reaxys
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Last Modified
14 April 2015