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Substance Name: Wistariasaponin D
RN: 136033-54-0
InChIKey: ZNWGBWWXJAYIOM-HMAPMRIXSA-N

Note

  • From Wisteria brachybotrys.

Molecular Weight

  • 911.085
 
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Names and Synonyms

Name of Substance

  • Wistariasaponin D

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 136033-54-0

System Generated Number

  • 0136033540

Structure Descriptors

InChI

1S/C47H74O17/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/h9,21,23-26,28-37,39-41,48-49,51-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1

InChIKey

ZNWGBWWXJAYIOM-HMAPMRIXSA-N

Smiles

C1(CC([C@@]2(CC[C@@]3(C([C@H]2C1)=CC[C@@H]1[C@@]2([C@@H](CC[C@@]31C)[C@@]([C@H](CC2)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)(C)CO)C)C)C)=O)(C)C