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clethroidoside H

Go to external page http://purl.obolibrary.org/obo/CHEBI_69608

A triterpenoid saponin that is (2alpha,3beta,21beta)-ursa-9(11),12-diene-2,3,21,30-tetrol attached to beta-D-glucopyranosyl residues at positions 21 and 30 respectively via glycosidic linkages. It has been isolated from the aerial parts of Lysimachia clethroides.

Term info

Label

clethroidoside H

Synonyms
  • (2alpha,3beta,21beta)-21-(beta-D-glucopyranosyloxy)-2,3-dihydroxyursa-9(11),12-dien-30-yl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(2alpha,3beta,21beta)-21-(beta-D-glucopyranosyloxy)-2,3-dihydroxyursa-9(11),12-dien-30-yl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C42H68O14

has obo namespace

chebi_ontology

has related synonym

1,30-di-O-beta-D-glucopyranosyl-2alpha,3beta,21beta,30-tetraahydroxyurs-9(11),12-diene

id

CHEBI:69608

inchi

InChI=1S/C42H68O14/c1-19-20(18-53-36-33(50)31(48)29(46)24(16-43)55-36)23(54-37-34(51)32(49)30(47)25(17-44)56-37)15-39(4)12-13-41(6)21(28(19)39)8-9-27-40(5)14-22(45)35(52)38(2,3)26(40)10-11-42(27,41)7/h8-9,19-20,22-26,28-37,43-52H,10-18H2,1-7H3/t19-,20-,22+,23-,24+,25+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37+,39-,40-,41+,42+/m0/s1

inchikey

JOEPYBMXSPYIEP-ZBIJTGLSSA-N

mass

796.98090

monoisotopicmass

796.46091

smiles

C[C@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O