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CHEBI:69004 - 24,25-epoxytirucall-7-ene-3,23-dione

ChEBI IDCHEBI:69004
ChEBI Name24,25-epoxytirucall-7-ene-3,23-dione
Stars
DefinitionA tirucallane triterpenoid found in Dysoxylum lenticellatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])(C(C)CC(=O)[C@@H]4OC4(C)C)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H46O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,23,25H,10-17H2,1-8H3/t18?,19-,20-,23-,25-,28+,29-,30+/m0/s1
InChIKeyLLEVBDQGRCWBIO-OBDUWLSNSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
twig (BTO:0001411) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
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)
24,25-epoxytirucall-7-ene-3,23-dione (CHEBI:69004) has role plant metabolite (CHEBI:76924)
24,25-epoxytirucall-7-ene-3,23-dione (CHEBI:69004) is a cyclic terpene ketone (CHEBI:36130)
24,25-epoxytirucall-7-ene-3,23-dione (CHEBI:69004) is a epoxide (CHEBI:32955)
24,25-epoxytirucall-7-ene-3,23-dione (CHEBI:69004) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20ξ,24R)-24,25-epoxylanost-7-ene-3,23-dione
Registry NumbersSources
Reaxys:22011331Reaxys
Citations