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Substance Name: Chikusetsu saponin iva
RN: 51415-02-2
UNII: T3FU6ZPR5V
InChIKey: YOSRLTNUOCHBEA-SGVKAIFKSA-N

Note

  • From the tubers of Hemsleya pengxianensis (Cucurbitaceae).

Molecular Formula

  • C42-H66-O14

Molecular Weight

  • 794.9694
 
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Names and Synonyms

Name of Substance

  • Chikusetsu saponin iva

Synonyms

  • Chikusetsusaponin iva
  • UNII-T3FU6ZPR5V

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl

Registry Numbers

CAS Registry Number

  • 51415-02-2

FDA UNII

  • T3FU6ZPR5V

System Generated Number

  • 0051415022

Structure Descriptors

InChI

1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1

InChIKey

YOSRLTNUOCHBEA-SGVKAIFKSA-N

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O