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CHEBI:70264 - aglaiabbreviatin C

ChEBI IDCHEBI:70264
ChEBI Nameaglaiabbreviatin C
Stars
DefinitionA tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC24H40O2
Net Charge0
Average Mass360.582
Monoisotopic Mass360.30283
SMILES[H][C@]12CC[C@]3([H])[C@@H](C(C)=O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C24H40O2/c1-15(25)16-9-13-23(5)17(16)7-8-19-22(4)12-11-20(26)21(2,3)18(22)10-14-24(19,23)6/h16-20,26H,7-14H2,1-6H3/t16-,17-,18+,19-,20-,22+,23-,24-/m1/s1
InChIKeyGRVOAMBHUWXGTO-NICZXZAASA-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)
aglaiabbreviatin C (CHEBI:70264) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin C (CHEBI:70264) is a methyl ketone (CHEBI:51867)
aglaiabbreviatin C (CHEBI:70264) is a secondary alcohol (CHEBI:35681)
aglaiabbreviatin C (CHEBI:70264) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3α,5α)-3-hydroxy-4,4,8,14-tetramethyl-18-norpregnan-20-one
Registry NumbersSources
Reaxys:21155743Reaxys
Citations