(25RS)-Schidigera saponin F1

CAS Registry Number®

266998-42-9

CAS Name

(25RS)-Schidigera saponin F1

Molecular Formula

C44H72O18

Molecular Mass

889.03

Cite this Page

(25RS)-Schidigera saponin F1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=266998-42-9 (retrieved 2024-11-22) (CAS RN: 266998-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3/t18?,19-,20+,21+,22-,23-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+/m0/s1

InChIKey

InChIKey=CZBXLGUXHJJJMB-TWHNOHTISA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CCC(C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@@H](O)[C@@H](CO)O7)[C@@H](O)C6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(OC(CO)C(O)C2OC3OCC(O)C(O)C3O)OC4CC5CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (2β,3β,5β)-2-hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-
  • (2β,3β,5β)-2-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-galactopyranoside
  • (25RS)-Schidigera saponin F1

CAS INSIGHTSTM
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