Furost-20(22)-en-6-one, 3-[(6-O-α-D-arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3β,5α,25R)-

CAS Registry Number®

170739-22-7
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CAS Name

Furost-20(22)-en-6-one, 3-[(6-O-α-D-arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3β,5α,25R)-

Molecular Formula

C45H72O19

Molecular Mass

917.04

Cite this Page

Furost-20(22)-en-6-one, 3-[(6-O-α-D-arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3β,5α,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=170739-22-7 (retrieved 2024-09-20) (CAS RN: 170739-22-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72O19/c1-18(15-58-42-38(56)35(53)33(51)29(14-47)63-42)9-20(13-46)40-19(2)31-28(62-40)12-24-22-11-26(48)25-10-21(5-7-44(25,3)23(22)6-8-45(24,31)4)61-43-39(57)36(54)34(52)30(64-43)17-60-41-37(55)32(50)27(49)16-59-41/h18,20-25,27-39,41-43,46-47,49-57H,5-17H2,1-4H3/t18-,20?,21+,22-,23+,24+,25-,27-,28+,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43-,44-,45+/m1/s1

InChIKey

InChIKey=WDTQKOJLOMDSGJ-WSTGHRFTSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](C(=O)C3)(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)CC4)[H])[H])[H])(C[C@]7([C@@]2(C(C)=C(C(C[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)CO)O7)[H])[H])[H]

Canonical SMILES

O=C1CC2C(CCC3(C)C4C(=C(OC4CC23)C(CO)CC(C)COC5OC(CO)C(O)C(O)C5O)C)C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)CC16

Other Names for this Substance

  • Furost-20(22)-en-6-one, 3-[(6-O-α-D-arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3β,5α,25R)-
  • Chinenoside V