(3β,5α,25R)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one

CAS Registry Number®

172519-52-7

CAS Name

(3β,5α,25R)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one

Molecular Formula

C44H70O18

Molecular Mass

887.02

Cite this Page

(3β,5α,25R)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=172519-52-7 (retrieved 2024-11-22) (CAS RN: 172519-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,26+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44+/m1/s1

InChIKey

InChIKey=ZKCRBHUUXPULDX-LQEBEHDUSA-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(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

O=C1CC2C(CCC3(C)C4C(=C(OC4CC23)CCC(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-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-, (3β,5α,25R)-
  • (3β,5α,25R)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one
  • Chinenoside III
  • (-)-Chinenoside III

CAS INSIGHTSTM
Targeted protein degrader structure, illustration