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CHEBI:69998 - combretanone D

ChEBI IDCHEBI:69998
ChEBI Namecombretanone D
Stars
DefinitionA pentacyclic triterpenoid that is 9β,19-cyclolanost-24-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 23. It has been isolated from the leaves of Combretum quadrangulare.
Last Modified28 March 2017
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@@]12[C@@H](O)C[C@@]3([H])C(C)(C)C(=O)CC[C@@]34C[C@]41CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)C[C@@H](O)C=C(C)C
InChIInChI=1S/C30H48O3/c1-18(2)14-20(31)15-19(3)21-8-10-28(7)25-22(32)16-23-26(4,5)24(33)9-11-29(23)17-30(25,29)13-12-27(21,28)6/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3/t19-,20+,21-,22+,23+,25+,27-,28+,29-,30+/m1/s1
InChIKeyQDIQNEFJFYZXIU-VOEAOCOZSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
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)
combretanone D (CHEBI:69998) has parent hydride cycloartane (CHEBI:37778)
combretanone D (CHEBI:69998) has role plant metabolite (CHEBI:76924)
combretanone D (CHEBI:69998) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone D (CHEBI:69998) is a cyclic terpene ketone (CHEBI:36130)
combretanone D (CHEBI:69998) is a diol (CHEBI:23824)
combretanone D (CHEBI:69998) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(23R)-7β,23-dihydroxy-9β,19-cyclolanost-24-en-3-one
Registry NumbersSources
Reaxys:21312858Reaxys
Citations