Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-D-Glucopyranosiduronic acid, (3b,20b)-29-hydroxy-11-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-
RN: 134250-15-0
InChIKey: QZQBDAOUQQTONF-MIUWDCFGSA-N

Molecular Formula

  • C42-H64-O15

Molecular Weight

  • 808.9526
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 18beta-Olean-12-ene-11-oxo-3beta,30-diol-3-O-beta-D-glucuronopyranosyl(1-2)beta-D-glucuronopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3b,20b)-29-hydroxy-11-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 134250-15-0

System Generated Number

  • 0134250150

Structure Descriptors

InChI

1S/C42H64O15/c1-37(2)22-8-11-42(7)32(21(44)16-19-20-17-38(3,18-43)12-13-39(20,4)14-15-41(19,42)6)40(22,5)10-9-23(37)54-36-31(27(48)26(47)30(56-36)34(52)53)57-35-28(49)24(45)25(46)29(55-35)33(50)51/h16,20,22-32,35-36,43,45-49H,8-15,17-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36-,38-,39+,40-,41+,42+/m0/s1

InChIKey

QZQBDAOUQQTONF-MIUWDCFGSA-N

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)CO