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CHEBI:70265 - aglaiabbreviatin D

ChEBI IDCHEBI:70265
ChEBI Nameaglaiabbreviatin D
Stars
DefinitionA tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@]4(C)CC=CC(C)(C)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H48O2/c1-25(2)15-9-16-30(8,32-25)21-12-18-28(6)20(21)10-11-23-27(5)17-14-24(31)26(3,4)22(27)13-19-29(23,28)7/h9,15,20-23H,10-14,16-19H2,1-8H3/t20-,21+,22+,23-,27+,28-,29-,30+/m1/s1
InChIKeyWVWUAJRNIVNQJF-MRULXVATSA-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 D (CHEBI:70265) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin D (CHEBI:70265) is a cyclic terpene ketone (CHEBI:36130)
aglaiabbreviatin D (CHEBI:70265) is a pyrans (CHEBI:26407)
aglaiabbreviatin D (CHEBI:70265) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2,6,6-trimethyl-3,6-dihydro-2H-pyran-2-yl]hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Registry NumbersSources
Reaxys:21155748Reaxys
Citations