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Substance Name: Azukisaponin V carboxylate
RN: 119556-01-3
InChIKey: PTDAHAWQAGSZDD-VSAYGNTNSA-M

Molecular Formula

  • C48-H77-O18

Molecular Weight

  • 942.118
 
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Names and Synonyms

  • Azukisaponin V carboxylate

Registry Numbers

CAS Registry Number

  • 119556-01-3

System Generated Number

  • 0119556013

Structure Descriptors

InChI

1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)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)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/p-1/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

PTDAHAWQAGSZDD-VSAYGNTNSA-M

Smiles

C[C@@H]1O[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@@H](CC=C7[C@@H]8CC(C[C@H]([C@]8(C)CC[C@@]67C)O)(C)C)[C@@]5(CC4)C)C)(CO)C)O[C@@H]([C@H]([C@@H]3O)O)C([O-])=O)O[C@@H]([C@@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O