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3beta-hydroxyurs-20-en-28-oic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_67953

A pentacyclic triterpenoid that is urs-20-ene substituted by a carboxy group at position 28 and a beta-hydroxy group at position 3. It has been isolated from Juglans sinensis.

Term info

Label

3beta-hydroxyurs-20-en-28-oic acid

Synonyms
  • 3beta-hydroxyurs-20-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-hydroxyurs-20-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O3

has obo namespace

chebi_ontology

id

CHEBI:67953

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/h10,19-24,31H,8-9,11-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

inchikey

HNJKFVJZKCXLRL-XNWPAUOFSA-N

mass

456.70030

monoisotopicmass

456.36035

smiles

C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC=C1C)C(O)=O