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CHEBI:70269 - cabraleahydroxylactone

ChEBI IDCHEBI:70269
ChEBI Namecabraleahydroxylactone
Stars
DefinitionA tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@]4(C)CCC(=O)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C27H44O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h17-21,28H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,24+,25-,26-,27+/m1/s1
InChIKeyAHDUWGQSZYSNEY-HUOCPXEISA-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)
cabraleahydroxylactone (CHEBI:70269) has role plant metabolite (CHEBI:76924)
cabraleahydroxylactone (CHEBI:70269) is a secondary alcohol (CHEBI:35681)
cabraleahydroxylactone (CHEBI:70269) is a tetracyclic triterpenoid (CHEBI:26893)
cabraleahydroxylactone (CHEBI:70269) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3α,5α)-3-hydroxy-4,4,8,14-tetramethyl-20,24-epoxy-18-norcholan-24-one
Registry NumbersSources
Reaxys:1628323Reaxys
Citations