β-D-Glucopyranoside, (2α,3β,5α,25S)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-

CAS Registry Number®

234771-07-4
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CAS Name

β-D-Glucopyranoside, (2α,3β,5α,25S)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-

Molecular Formula

C45H74O18

Molecular Mass

903.06

Cite this Page

β-D-Glucopyranoside, (2α,3β,5α,25S)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=234771-07-4 (retrieved 2024-09-21) (CAS RN: 234771-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-41-36(54)34(52)32(50)28(15-46)59-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)20(3)57-40/h18-42,46-55H,6-17H2,1-5H3/t18-,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+/m0/s1

InChIKey

InChIKey=ZRLYJZWJVVMIHO-GGJFAVENSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](CC5)(C[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](O[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)[C@@H](CO)O7)[C@H](O)C6)[H])[H])[H])[H])[H])[H])CC[C@H](C)CO2

Canonical SMILES

OCC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC2OC4CC5CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4O)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,5α,25S)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-
  • Tuberoside E