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Substance Name: Hispidacin
RN: 82793-05-3
InChIKey: VLJUKJIGOZEVIU-QZDXJYHNSA-N

Note

  • From Medicago hispida.

Molecular Formula

  • C48-H78-O18

Molecular Weight

  • 943.1262
 
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Names and Synonyms

Name of Substance

  • Hispidacin

Synonym

  • Soyasapogenol B-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranosyl(1-2)-beta-D-glucuronopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-

Registry Numbers

CAS Registry Number

  • 82793-05-3

System Generated Number

  • 0082793053

Structure Descriptors

InChI

1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-38-34(57)33(56)37(64-42(38)66-41-36(59)32(55)30(53)24(19-49)62-41)39(60)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)27(51)18-44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-59H,10-20H2,1-8H3/t21-,23+,24+,25?,26?,27-,28?,29-,30+,31+,32-,33+,34-,35+,36+,37-,38+,40-,41+,42+,44-,45-,46?,47+,48+/m0/s1

InChIKey

VLJUKJIGOZEVIU-QZDXJYHNSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC4CC[C@]5(C(C4(C)CO)CC[C@@]6(C5CC=C7[C@]6(CC[C@@]8([C@@H]7CC([C@H](C8)O)(C)C)C)C)C)C)O)O)O)O)O