(3β,5β,25S)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside

CAS Registry Number®

131622-60-1
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CAS Name

(3β,5β,25S)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside

Molecular Formula

C44H72O17

Molecular Mass

873.03

Cite this Page

(3β,5β,25S)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131622-60-1 (retrieved 2024-09-20) (CAS RN: 131622-60-1).  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(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)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=KCJCMMKXYAIXFR-QMILVOOLSA-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](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@@H](CO)O6)CC5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@H](C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC3OCC(O)C(O)C3O)C(OC2OC4CCC5(C)C(CCC6C5CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C4)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-
  • (3β,5β,25S)-Spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside