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CHEBI:69997 - combretanone C

ChEBI IDCHEBI:69997
ChEBI Namecombretanone C
Stars
DefinitionA pentacyclic triterpenoid that is 9β,19-cyclolanost-23-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 25. 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=C/C(C)(C)O
InChIInChI=1S/C30H48O3/c1-19(9-8-12-25(2,3)33)20-10-13-28(7)24-21(31)17-22-26(4,5)23(32)11-14-29(22)18-30(24,29)16-15-27(20,28)6/h8,12,19-22,24,31,33H,9-11,13-18H2,1-7H3/b12-8+/t19-,20-,21+,22+,24+,27-,28+,29-,30+/m1/s1
InChIKeyRROWKYAPFZNHKO-FVOKRUCCSA-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 C (CHEBI:69997) has parent hydride cycloartane (CHEBI:37778)
combretanone C (CHEBI:69997) has role plant metabolite (CHEBI:76924)
combretanone C (CHEBI:69997) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone C (CHEBI:69997) is a cyclic terpene ketone (CHEBI:36130)
combretanone C (CHEBI:69997) is a diol (CHEBI:23824)
combretanone C (CHEBI:69997) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(23E)-7β,25-dihydroxy-9β,19-cyclolanost-23-en-3-one
Registry NumbersSources
Reaxys:21312856Reaxys
Citations