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CHEBI:67942 - 1-oxo-3β-hydroxyolean-18-ene

ChEBI IDCHEBI:67942
ChEBI Name1-oxo-3β-hydroxyolean-18-ene
Stars
ASCII Name1-oxo-3beta-hydroxyolean-18-ene
DefinitionA pentacyclic triterpenoid that is olean-18-ene substituted by a β-hydroxy group at position 3 and oxo group at position 1. It has been isolated from the leaves and twigs of Juglans sinensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@]3([H])C4=CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC(=O)[C@]21C
InChIInChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1
InChIKeyPKZZYOJERITBAM-HBSCMMAFSA-N
Species of MetaboliteComponentSourceComments
Juglans sinensis (ncbitaxon:442437-1)
leaf (BTO:0000713) PubMed (21309591) 80% Methanolic extract of dried leaves and twigs
twig (BTO:0001411) PubMed (21309591) 80% Methanolic extract of dried 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)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) has parent hydride oleanane (CHEBI:36481)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) has role plant metabolite (CHEBI:76924)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a cyclic terpene ketone (CHEBI:36130)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a pentacyclic triterpenoid (CHEBI:25872)
1-oxo-3β-hydroxyolean-18-ene (CHEBI:67942) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3β-hydroxyolean-18-en-1-one
Registry NumbersSources
Reaxys:21448535Reaxys
Citations