β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-α-D-galactopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-

CAS Registry Number®

55826-88-5
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CAS Name

β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-α-D-galactopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-

Molecular Formula

C45H74O18

Molecular Mass

903.06

Cite this Page

β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-α-D-galactopyranosyl-(1→2)-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=55826-88-5 (retrieved 2024-09-21) (CAS RN: 55826-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,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+/m0/s1

InChIKey

InChIKey=JNTJNUDLVQQYGM-LHOXXHAFSA-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](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](CO)O7)[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(OC2OC3C(O)C(O)C(OC4CCC5(C)C(CCC6C5CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C4)OC3CO)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl O-α-D-galactopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-
  • Spirostan, β-D-glucopyranoside deriv.
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
  • Yuccoside C