β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-

CAS Registry Number®

181492-99-9
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CAS Name

β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-

Molecular Formula

C44H72O17

Molecular Mass

873.03

Cite this Page

β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=181492-99-9 (retrieved 2024-09-20) (CAS RN: 181492-99-9).  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(56-16-19)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)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/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=ZUIQPSIQYROGAZ-PHOBFJJKSA-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]6O[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@H](C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC2COC9OCC(O)C(O)C9O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5α,25S)-spirostan-3-yl O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-