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CHEBI:70271 - ocotillone

ChEBI IDCHEBI:70271
ChEBI Nameocotillone
Stars
DefinitionA tetracyclic triterpenoid isolated from 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@]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(=O)CC[C@]21C
InChIInChI=1S/C30H50O3/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/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,27+,28-,29-,30+/m1/s1
InChIKeyXSQYWMLMQVUWSF-KATWBKOUSA-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)
ocotillone (CHEBI:70271) has parent hydride dammarane (CHEBI:36488)
ocotillone (CHEBI:70271) has role plant metabolite (CHEBI:76924)
ocotillone (CHEBI:70271) is a cyclic terpene ketone (CHEBI:36130)
ocotillone (CHEBI:70271) is a oxolanes (CHEBI:26912)
ocotillone (CHEBI:70271) is a tertiary alcohol (CHEBI:26878)
ocotillone (CHEBI:70271) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(24R)-25-hydroxy-20,24-epoxydammaran-3-one
Registry NumbersSources
Reaxys:5307536Reaxys
Citations