CHEBI:70563 - (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal

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ChEBI Name (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
ChEBI ID CHEBI:70563
ChEBI ASCII Name (-)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
Definition An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Stars This entity has been manually annotated by the ChEBI Team.
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Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.46110
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1
InChIKey UBQQOJDZHPQINO-BURNTYAHSA-N
SMILES CO[C@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(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,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) has role plant metabolite (CHEBI:76924)
(−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a abietane diterpenoid (CHEBI:36762)
(−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a cyclic ether (CHEBI:37407)
(−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(20S)-20-methoxy-19,20-epoxyabieta-8,11,13-trien-12-ol
Registry Number Type Source
21097466 Reaxys Registry Number Reaxys
Citation
Last Modified
14 April 2015