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Substance Name: Uralsaponin W
RN: 1616062-88-4
UNII: L8QT245VO6
InChIKey: BBTZPUQIJXVLFI-HXBRCTIJSA-N

Molecular Formula

  • C42-H62-O15

Molecular Weight

  • 806.9368
 
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Names and Synonyms

Name of Substance

  • Uralsaponin W

Synonyms

  • 3beta-O-(beta-D-Glucuronopyranosyl-(1->2)-beta-D-glucuronopyranosyl)glycyrrhetaldehyde
  • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-11,29-dioxoolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-
  • UNII-L8QT245VO6
  • Uralsaponin W

Registry Numbers

CAS Registry Number

  • 1616062-88-4

FDA UNII

  • L8QT245VO6

System Generated Number

  • 1616062884

Structure Descriptors

InChI

1S/C42H62O15/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/h16,18,20,22-32,35-36,45-49H,8-15,17H2,1-7H3,(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

BBTZPUQIJXVLFI-HXBRCTIJSA-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)C=O