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3beta,23-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_67943

A triterpenoid saponin that is 28-O-beta-D-glucopyranosyl derivative of 23-hydroxyursolic acid. It has been isolated from the leaves and twigs of Juglans sinensis.

Term info

Label

3beta,23-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

Synonyms
  • 1-O-[3beta,23-dihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-[3beta,23-dihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose [ IUPAC ]

charge

0

formula

C36H58O9

has obo namespace

chebi_ontology

id

CHEBI:67943

inchi

InChI=1S/C36H58O9/c1-19-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h7,19-20,22-30,37-42H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1

inchikey

CNLHARKNOPEQIC-CWVWMCCNSA-N

mass

634.84030

monoisotopicmass

634.40808

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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O