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CHEBI:69996 - combretanone B

ChEBI IDCHEBI:69996
ChEBI Namecombretanone B
Stars
DefinitionA pentacyclic triterpenoid that is 9β,19-cyclolanostane substituted by an oxo group at position 3 and hydroxy groups at positions 7, 23R*, 24S*, 25 and 28. It has been isolated from the leaves of Combretum quadrangulare.
Last Modified30 January 2020
DownloadsMolfile
FormulaC30H50O6
Net Charge0
Average Mass506.724
Monoisotopic Mass506.36074
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])[C@]4(C)CC[C@]([H])([C@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)[C@@]4(C)CC[C@]34C[C@]14CCC(=O)[C@@]2(C)CO
InChIInChI=1S/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20-,21+,23+,24+,26+,27-,28+,29-,30+/m1/s1
InChIKeyKIGVCZYFPXRACV-WRPPEDOYSA-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 B (CHEBI:69996) has parent hydride cycloartane (CHEBI:37778)
combretanone B (CHEBI:69996) has role plant metabolite (CHEBI:76924)
combretanone B (CHEBI:69996) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone B (CHEBI:69996) is a 4α-hydroxymethyl steroid (CHEBI:145944)
combretanone B (CHEBI:69996) is a cyclic terpene ketone (CHEBI:36130)
combretanone B (CHEBI:69996) is a pentacyclic triterpenoid (CHEBI:25872)
combretanone B (CHEBI:69996) is a pentol (CHEBI:37205)
IUPAC Name 
(23R*,24S*)-7β,23,24,25,28-pentahydroxy-9β,19-cyclolanostan-3-one
Registry NumbersSources
Reaxys:21312864Reaxys
Citations