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Substance Name: Gypsogenin 3-O-glucuronide
RN: 105762-16-1
InChIKey: NUSHOJSYOLRGAX-ZIPQOKDHSA-N

Note

  • From Gypsophila paniculata.

Molecular Formula

  • C36-H54-O10

Molecular Weight

  • 646.8126
 
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Names and Synonyms

Name of Substance

  • Gypsogenin 3-O-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-oxo-28-norolean-12-en-3-yl

Registry Numbers

CAS Registry Number

  • 105762-16-1

System Generated Number

  • 0105762161

Structure Descriptors

InChI

1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t20?,21-,22-,23?,24+,25+,26-,27+,29-,32+,33+,34-,35-,36+/m1/s1

InChIKey

NUSHOJSYOLRGAX-ZIPQOKDHSA-N

Smiles

C[C@]12CCC([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O