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CHEBI:70274 - 20S,24S-dihydroxydammer-25-en-3-one

ChEBI IDCHEBI:70274
ChEBI Name20S,24S-dihydroxydammer-25-en-3-one
Stars
ASCII Name20S,24S-dihydroxydammer-25-en-3-one
DefinitionA tetracyclic triterpenoid that is dammer-25-ene substituted by hydroxy groups at positions 20 and 24 and an oxo group at position 3 (the 24S-stereoisomer). It has been isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@@](C)(O)CC[C@H](O)C(=C)C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H50O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-24,31,33H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24-,27+,28-,29-,30+/m1/s1
InChIKeyWLFYAHQFDJKVSZ-QCIZWGLLSA-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)
20S,24S-dihydroxydammer-25-en-3-one (CHEBI:70274) has parent hydride dammarane (CHEBI:36488)
20S,24S-dihydroxydammer-25-en-3-one (CHEBI:70274) has role plant metabolite (CHEBI:76924)
20S,24S-dihydroxydammer-25-en-3-one (CHEBI:70274) is a cyclic terpene ketone (CHEBI:36130)
20S,24S-dihydroxydammer-25-en-3-one (CHEBI:70274) is a diol (CHEBI:23824)
20S,24S-dihydroxydammer-25-en-3-one (CHEBI:70274) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(24S)-20,24-dihydroxydammar-25-en-3-one
Registry NumbersSources
Reaxys:5773619Reaxys
Citations