CHEBI:67950 - 2α,3α,23-trihydroxyurs-12-en-28-oic acid

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ChEBI Name 2α,3α,23-trihydroxyurs-12-en-28-oic acid
ChEBI ID CHEBI:67950
ChEBI ASCII Name 2alpha,3alpha,23-trihydroxyurs-12-en-28-oic acid
Definition A pentacyclic triterpenoid that is urs-12-ene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2α,3α stereoisomer). 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 C30H48O5
Net Charge 0
Average Mass 488.69910
Monoisotopic Mass 488.35017
InChI InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1
InChIKey JXSVIVRDWWRQRT-SVOQGVCWSA-N
SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 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 2α,3α,23-trihydroxyurs-12-en-28-oic acid (CHEBI:67950) has parent hydride ursane (CHEBI:35711)
2α,3α,23-trihydroxyurs-12-en-28-oic acid (CHEBI:67950) has role plant metabolite (CHEBI:76924)
2α,3α,23-trihydroxyurs-12-en-28-oic acid (CHEBI:67950) is a hydroxy monocarboxylic acid (CHEBI:35868)
2α,3α,23-trihydroxyurs-12-en-28-oic acid (CHEBI:67950) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
2α,3α,23-trihydroxyurs-12-en-28-oic acid
Registry Number Type Source
5486579 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
20 January 2014