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euscaphic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_67914

A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 19 respectively (the 2alpha,3alpha-stereoisomer). It has been isolated from the leaves of Rosa laevigata.

Term info

Label

euscaphic acid

Synonyms
  • (2alpha,3alpha)-2,3,19-trihydroxyurs-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2alpha,3alpha)-2,3,19-trihydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O5

has obo namespace

chebi_ontology

has related synonym

Jacarandic acid, Tormentic acid

id

CHEBI:67914

inchi

InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1

inchikey

OXVUXGFZHDKYLS-QUFHAEKXSA-N

mass

488.69910

monoisotopicmass

488.35017

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