(3β,5β)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside

CAS Registry Number®

266997-85-7
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CAS Name

(3β,5β)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside

Molecular Formula

C45H74O18

Molecular Mass

903.06

Cite this Page

(3β,5β)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=266997-85-7 (retrieved 2024-09-21) (CAS RN: 266997-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h19-42,46-55H,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-,45+/m0/s1

InChIKey

InChIKey=DKEFDSJGKPNAQN-POPUXKEYSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CCC(C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)C2OC9OC(CO)C(O)C(O)C9O)CO)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-glucopyranosyl-(1→3)]-
  • (3β,5β)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside
  • (25RS)-Schidegera saponin D3