Soyasaponin Ba

CAS Registry Number®

114590-20-4
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CAS Name

Soyasaponin Ba

Molecular Formula

C48H78O19

Molecular Mass

959.12

Cite this Page

Soyasaponin Ba.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114590-20-4 (retrieved 2024-06-25) (CAS RN: 114590-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,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

InChIKey=WFRQIKSNAYYUJZ-BKQVBUAGSA-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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)C[C@H]8O)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(O)C6(C)CCC54C)C2(C)CO)C(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22,23-dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • (3β,4β,22β)-22,23-Dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
  • Soyasaponin V
  • Soyasaponin Ba
  • Soyasaponin M2

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Deleted or Replaced CAS Registry Numbers

114451-23-9, 220640-71-1

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