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Substance Name: Soyasaponin II
RN: 55319-36-3
InChIKey: IBZLICPLPYSFNZ-MZKFGPPESA-N

Note

  • Isolated from the soybean Glycine max.

Molecular Formula

  • C47-H76-O17

Molecular Weight

  • 913.1
 
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Names and Synonyms

Name of Substance

  • Soyasaponin II

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-alpha-L-arabinopyranosyl-(1-2)-

Registry Numbers

CAS Registry Number

  • 55319-36-3

System Generated Number

  • 0055319363

Structure Descriptors

InChI

1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1

InChIKey

IBZLICPLPYSFNZ-MZKFGPPESA-N

Smiles

O1[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@@H]4[C@]([C@@H]5CC[C@@]6([C@@]7(CC[C@@]8([C@@H](O)CC(C)(C)C[C@@H]8C7=CC[C@H]6[C@@]5(CC4)C)C)C)C)(C)CO)O[C@H](C(O)=O)[C@H](O)[C@@H]3O)OC[C@@H]([C@@H]2O)O)[C@@H]([C@@H]([C@H]([C@@H]1C)O)O)O