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CHEBI:70272 - cabraleadiol

ChEBI IDCHEBI:70272
ChEBI Namecabraleadiol
Stars
DefinitionA tetracyclic triterpenoid isolated from Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
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](O)CC[C@]21C
InChIInChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
InChIKeyRQBNSDSKUAGBOI-ZNYSIYOKSA-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 (CHEBI:70272) has parent hydride dammarane (CHEBI:36488)
cabraleadiol (CHEBI:70272) has role plant metabolite (CHEBI:76924)
cabraleadiol (CHEBI:70272) is a diol (CHEBI:23824)
cabraleadiol (CHEBI:70272) is a oxolanes (CHEBI:26912)
cabraleadiol (CHEBI:70272) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3α,24S)-20,24-epoxydammarane-3,25-diol
Registry NumbersSources
Reaxys:1437381Reaxys
Citations