(3β,5α,6β,25S)-6-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS Registry Number®

186545-52-8

CAS Name

(3β,5α,6β,25S)-6-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Molecular Formula

C51H84O24

Molecular Mass

1081.20

Cite this Page

(3β,5α,6β,25S)-6-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-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=186545-52-8 (retrieved 2024-10-20) (CAS RN: 186545-52-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H84O24/c1-19-5-10-51(66-18-19)20(2)32-27(75-51)13-24-22-12-26(56)25-11-21(6-8-49(25,3)23(22)7-9-50(24,32)4)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,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+,46-,47-,48-,49+,50-,51+/m0/s1

InChIKey

InChIKey=ZQEKBPUAGJKEQO-XLNUXMDTSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@@]([C@H](O)C4)(C[C@@H](O[C@@H]6O[C@H](CO)[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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@H](C)CO%10)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(OC3C(O)C(O)C(OC4CCC5(C)C(C4)C(O)CC6C5CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)OC3CO)C2OC%10OC(CO)C(O)C(O)C%10O)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,6β,25S)-6-hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
  • (3β,5α,6β,25S)-6-Hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Isoeruboside B

CAS INSIGHTSTM
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