Terminology Service for NFDI4Health
JSON

23-hydroxyursolic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_67896

A pentacyclic triterpenoid that is ursolic acid substituted by an additional hydroxy group at position 23. It has been isolated from Lagerstroemia speciosa and Juglans sinensis.

Term info

Label

23-hydroxyursolic acid

Synonyms
  • 3beta,23-dihydroxyurs-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta,23-dihydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O4

has obo namespace

chebi_ontology

has related synonym

2-deoxyasiatic acid

id

CHEBI:67896

inchi

InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1

inchikey

NZCULBURCGAPSF-PQWKYGPVSA-N

mass

472.69970

monoisotopicmass

472.35526

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