CHEBI:67949 - 3β-acetoxyolean-18-en-28-oic acid

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ChEBI Name 3β-acetoxyolean-18-en-28-oic acid
ChEBI ID CHEBI:67949
ChEBI ASCII Name 3beta-acetoxyolean-18-en-28-oic acid
Definition A pentacyclic triterpenoid that is olean-18-ene substituted by an acetyloxy group at position 3 and a carboxy group at position 28. It has been isolated from Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H50O4
Net Charge 0
Average Mass 498.73700
Monoisotopic Mass 498.37091
InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,29+,30-,31-,32+/m1/s1
InChIKey ATCLOZHDTYBRBI-MGIFRHGRSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) has parent hydride oleanane (CHEBI:36481)
3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) has role plant metabolite (CHEBI:76924)
3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a acetate ester (CHEBI:47622)
3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a monocarboxylic acid (CHEBI:25384)
3β-acetoxyolean-18-en-28-oic acid (CHEBI:67949) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
3β-(acetyloxy)olean-18-en-28-oic acid
Registry Number Type Source
3180462 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
20 January 2014