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CHEBI:2994 - barringtogenol C

ChEBI IDCHEBI:2994
ChEBI Namebarringtogenol C
Stars
DefinitionA pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3, 16, 21, 22 and 28 (the 3β,16α,21β,22α stereoisomer).
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)[C@H](O)[C@]4(CO)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKeyAYDKOFQQBHRXEW-AAUPIIFFSA-N
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)
barringtogenol C (CHEBI:2994) has parent hydride oleanane (CHEBI:36481)
barringtogenol C (CHEBI:2994) has role plant metabolite (CHEBI:76924)
barringtogenol C (CHEBI:2994) is a pentacyclic triterpenoid (CHEBI:25872)
barringtogenol C (CHEBI:2994) is a pentol (CHEBI:37205)
barringtogenol C (CHEBI:2994) is a sapogenin (CHEBI:26606)
Incoming Relation(s)
clethroidoside B (CHEBI:69602) has functional parent barringtogenol C (CHEBI:2994)
IUPAC Name 
(3β,16α,21β,22α)-olean-12-ene-3,16,21,22,28-pentol
Synonyms  Source
Careyagenol AHMDB
Giganteumgenin MHMDB
Acutangenol BHMDB
Saniculagenin DHMDB
Theasapogenol BHMDB
AescinidinHMDB
Manual XrefsDatabases
C08931KEGG COMPOUND
HMDB0034525HMDB
C00003505KNApSAcK
Registry NumbersSources
Reaxys:2229015Reaxys
CAS:13844-01-4ChemIDplus
Citations