Soyasaponin βg

CAS Registry Number®

143519-54-4
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CAS Name

Soyasaponin βg

Molecular Formula

C54H84O21

Molecular Mass

1069.23

Cite this Page

Soyasaponin βg.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145680-57-5 (retrieved 2024-05-04) (CAS RN: 143519-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26-,28+,29+,30+,31-,32+,33-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1

InChIKey

InChIKey=ONAAMCDHQSWPDU-BKUHCKHBSA-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]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[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[C@H]9CC(=O)C(O)=C(C)O9)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(OC7OC(=C(O)C(=O)C7)C)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • β-D-Glucopyranosiduronic acid, [3β,4β,22β(R)]-22-[(3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • (3β,4β,22β)-22-[[(2R)-3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
  • Chromosaponin I
  • Soyasaponin βg

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Deleted or Replaced CAS Registry Numbers

145680-57-5

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