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CHEBI:70560 - (4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal

ChEBI IDCHEBI:70560
ChEBI Name(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
Stars
ASCII Name(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
DefinitionAn abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]13CCC[C@]2(C)CO[C@H]3O
InChIInChI=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
InChIKeyQVGFDWPRYXYPGU-NMLBUPMWSA-N
Species of MetaboliteComponentSourceComments
Fraxinus sieboldiana (ncbitaxon:490850) stem (BTO:0001300) PubMed (20961093) Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) has role plant metabolite (CHEBI:76924)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a abietane diterpenoid (CHEBI:36762)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a cyclic ether (CHEBI:37407)
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (CHEBI:70560) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(20R)-19,20-epoxyabieta-8,11,13-triene-12,20-diol
Registry NumbersSources
Reaxys:21097470Reaxys
Citations