(25RS)-Schidegera saponin D1

CAS Registry Number®

266997-53-9

CAS Name

(25RS)-Schidegera saponin D1

Molecular Formula

C44H72O17

Molecular Mass

873.03

Cite this Page

(25RS)-Schidegera saponin D1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=266997-53-9 (retrieved 2024-11-22) (CAS RN: 266997-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3/t19?,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=ZAZNQYAHJWQLHA-ZXRYHARGSA-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)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC(CO)C(O)C2OC9OCC(O)C(O)C9O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-
  • (3β,5β)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranoside
  • (25RS)-Schidegera saponin D1
  • Saponin YSM4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration