Azukisaponin IV

CAS Registry Number®

82793-04-2
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CAS Name

Azukisaponin IV

Molecular Formula

C48H76O20

Molecular Mass

973.10

Cite this Page

Azukisaponin IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82793-04-2 (retrieved 2024-09-20) (CAS RN: 82793-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-37(59)34(56)31(53)25(66-40)20-63-38-35(57)32(54)29(51)23(18-49)64-38)16-14-45(4)21(22(48)17-43)7-8-26-44(3)11-10-28(47(6,41(60)61)27(44)9-12-46(26,45)5)67-39-36(58)33(55)30(52)24(19-50)65-39/h7,22-40,49-59H,8-20H2,1-6H3,(H,60,61)/t22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1

InChIKey

InChIKey=SDSUINASRZZKPO-WUIXFERYSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)([C@@](C(O)=O)(C)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)CC7)[H])[H])(CC(C)(C)CC4)[H]

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)CCC3(C)C1CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CCC54C

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-, 28-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl) ester, (3β,4α)-
  • Azukisaponin IV
  • Gypsogenic acid 3-O-glucopyranosyl, 28-O-[glucopyranosyl(1→6)glucopyranoside]