(2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS Registry Number®

142293-74-1

CAS Name

(2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Molecular Formula

C45H72O19

Molecular Mass

917.04

Cite this Page

(2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl 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=142293-74-1 (retrieved 2024-11-25) (CAS RN: 142293-74-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-36(55)34(53)38(29(16-48)61-40)62-42-37(56)39(32(51)28(15-47)60-42)63-41-35(54)33(52)31(50)27(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3/t18-,19+,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-/m1/s1

InChIKey

InChIKey=DNDKMGVAVSZIHV-FNDTUCKRSA-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](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)[C@H](O)C5)[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4O)OC3CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (2α,3β,25R)-2-hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-
  • (2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Fistuloside C

CAS INSIGHTSTM
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