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Substance Name: Soyasaponin A3
RN: 114077-04-2
InChIKey: NQGDGFITHGCDAO-UHFFFAOYSA-N

Molecular Weight

  • 959.125
 
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Names and Synonyms

  • Soyasaponin A3

Registry Numbers

CAS Registry Number

  • 114077-04-2

System Generated Number

  • 0114077042

Structure Descriptors

InChI

1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)66-35-30(54)28(52)23(18-49)63-41(35)67-36-32(56)31(55)34(39(60)61)65-42(36)64-26-12-13-45(5)24(46(26,6)19-50)11-14-48(8)25(45)10-9-21-22-17-43(2,3)37(58)38(59)44(22,4)15-16-47(21,48)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)

InChIKey

NQGDGFITHGCDAO-UHFFFAOYSA-N

Smiles

C1(C)([C@@H]([C@@H](O)[C@@]2(C)CC[C@@]3(C)C([C@@H]2C1)=CC[C@@H]1[C@@]2(C)[C@@H](CC[C@@]31C)[C@@](C)(CO)[C@@H](CC2)O[C@@H]1[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)O1)O)C