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Substance Name: Medicagenic acid-3-O-glucopyranoside
RN: 49792-23-6
InChIKey: XCHARIIIZLLEBL-GHKSOYFMSA-N

Note

  • Isolated from alfalfa roots.

Molecular Formula

  • C36-H56-O11

Molecular Weight

  • 664.827
 
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Names and Synonyms

Name of Substance

  • Medicagenic acid-3-O-glucopyranoside

Synonyms

  • CCRIS 6616
  • Medicagenic acid-3-O-glucopyranoside

Systematic Names

  • Medicagenic acid 3-O-beta-D-glucopyranoside
  • Olean-12-ene-23,28-dioic acid, 3-(beta-D-glucopyranosyloxy)-2-hydroxy-, (2beta,3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 49792-23-6

System Generated Number

  • 0049792236

Structure Descriptors

InChI

1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21-,22-,23?,24-,25+,26-,27+,28+,32-,33-,34-,35?,36+/m1/s1

InChIKey

XCHARIIIZLLEBL-GHKSOYFMSA-N

Smiles

C1[C@@H]([C@@H]([C@@](C(=O)O)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]12C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O