Soyasaponin Ag

CAS Registry Number®

117230-35-0
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CAS Name

Soyasaponin Ag

Molecular Formula

C57H88O25

Molecular Mass

1173.29

Cite this Page

Soyasaponin Ag.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117230-35-0 (retrieved 2024-09-20) (CAS RN: 117230-35-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)/t28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,48-,49-,50-,51+,53+,54-,55+,56+,57+/m0/s1

InChIKey

InChIKey=NYYNWFSJUAJYCV-RQGFYCCJSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C6[C@@]2(C)CC[C@]7(C)[C@]6(CC(C)(C)[C@@H](O)[C@H]7O[C@H]8[C@H](O)[C@@H](O[C@H]9[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)CO9)[C@@H](O)CO8)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(O)C(OC7OCC(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8OC(=O)C)C7O)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC9OCC(O)C(O)C9O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
  • (3β,4β,21β,22β)-21,23-Dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranosiduronic acid
  • Soyasaponin Ag
  • Acetylsoyasaponin A6