β-D-Glucopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-xylopyranosyl-

CAS Registry Number®

425644-95-7
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CAS Name

β-D-Glucopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-xylopyranosyl-

Molecular Formula

C44H72O18

Molecular Mass

889.03

Cite this Page

β-D-Glucopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-xylopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=425644-95-7 (retrieved 2024-09-20) (CAS RN: 425644-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,25-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44+/m1/s1

InChIKey

InChIKey=AALVUUMVCUHIRJ-QLADEKFDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)C4)[H])[H])[H])(C[C@]7([C@@]2(C(C)=C(CC[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)O7)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC=2OC3CC4C5CCC6CC(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 6-O-β-D-xylopyranosyl-
  • Trigoneoside VIII
  • 26-O-β-D-glucopyranosyl-25(R)-5α-furostan-20(22)-en-2α,3β,26-triol-3-O-β-D-xylopyranosyl(1->6)-β-D-glucopyranoside