(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS Registry Number®

118524-12-2

CAS Name

(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Molecular Formula

C45H74O20

Molecular Mass

935.06

Cite this Page

(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118524-12-2 (retrieved 2025-01-01) (CAS RN: 118524-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3/t17-,18+,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-,45-/m1/s1

InChIKey

InChIKey=OBNCZXYHSIJOME-POWBFILWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@]([C@H](O)C3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O)[C@H](O)C4)[H])[H])[H])(C[C@]8([C@@]2([C@H](C)[C@]9(O8)CC[C@@H](C)CO9)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OC4CC5C(O)CC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4O)OC3CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (2α,3β,5α,6β,25R)-2,6-dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-
  • (2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Ampeloside Bs1

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