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CHEBI:70273 - cabraleadiol monoacetate

Default Structure
ChEBI IDCHEBI:70273
ChEBI Namecabraleadiol monoacetate
Stars
DefinitionA tetracyclic triterpenoid isolated from Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC32H54O4
Net Charge0
Average Mass502.780
Monoisotopic Mass502.40221
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1
InChIKeyMYKPKZPRXSYQEQ-QCPMDXGFSA-N
Species of MetaboliteComponentSourceComments
Aglaia abbreviata (IPNI:576946-1) stem (BTO:0001300) PubMed (21087017) 95% ethanolic extract of air-dried stems
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)
cabraleadiol monoacetate (CHEBI:70273) has parent hydride dammarane (CHEBI:36488)
cabraleadiol monoacetate (CHEBI:70273) has role plant metabolite (CHEBI:76924)
cabraleadiol monoacetate (CHEBI:70273) is a acetate ester (CHEBI:47622)
cabraleadiol monoacetate (CHEBI:70273) is a oxolanes (CHEBI:26912)
cabraleadiol monoacetate (CHEBI:70273) is a tertiary alcohol (CHEBI:26878)
cabraleadiol monoacetate (CHEBI:70273) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3α,24S)-25-hydroxy-20,24-epoxydammaran-3-yl acetate
Registry NumbersSources
Reaxys:1442047Reaxys
Citations