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ursolic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_9908

A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3.

Term info

Label

ursolic acid

Synonyms
  • 3beta-hydroxyurs-12-en-28-oic acid
  • Ursolic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-hydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O3

has obo namespace

chebi_ontology

has related synonym

urson, prunol, (3beta)-3-hydroxyurs-12-en-28-oic acid, malol

id

CHEBI:9908

inchi

InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

inchikey

WCGUUGGRBIKTOS-GPOJBZKASA-N

mass

456.70030

monoisotopicmass

456.36035

smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O