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Substance Name: Calenduloside E
RN: 26020-14-4
UNII: 184358RYCU
InChIKey: IUCHKMAZAWJNBJ-RCYXVVTDSA-N

Molecular Formula

  • C36-H56-O9

Molecular Weight

  • 632.8294
 
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Names and Synonyms

Results Name

  • Calenduloside E

Name of Substance

  • Oleanolic acid 3-O-monoglucuronide

Synonyms

  • 3-O-(beta-D-Glucopyranuronosyl)oleanolic acid
  • Calenduloside E
  • Glycoside St-E
  • Momordin Ib
  • Olean-12-en-28-oic acid, 3beta-(beta-D-glucopyranuronosyloxy)-
  • Oleanolic acid 3-O-beta-D-glucuronopyranoside
  • Oleanolic acid 3-O-glucuronide
  • Polysciasaponin P7
  • Silphioside F
  • UNII-184358RYCU

Systematic Names

  • beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-12-en-3-yl
  • Glucopyranosiduronic acid, 3beta-hydroxyolean-12-en-28-oic acid, beta-D-

Registry Numbers

CAS Registry Number

  • 26020-14-4

FDA UNII

  • 184358RYCU

Other Registry Numbers

  • 108322-31-2
  • 412353-21-0

System Generated Number

  • 0026020144

Structure Descriptors

InChI

1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1

InChIKey

IUCHKMAZAWJNBJ-RCYXVVTDSA-N

Smiles

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O