(3β,5α,25R)-3-[(O-α-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one

CAS Registry Number®

172589-64-9

CAS Name

(3β,5α,25R)-3-[(O-α-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one

Molecular Formula

C49H78O22

Molecular Mass

1019.13

Cite this Page

(3β,5α,25R)-3-[(O-α-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-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=172589-64-9 (retrieved 2024-11-23) (CAS RN: 172589-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21+,22-,23+,24+,25-,27+,28-,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43-,44+,45-,46+,47-,48-,49+/m1/s1

InChIKey

InChIKey=ALMJXWPCHVBUTP-ZQGHOKOASA-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]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@H](O)[C@H]5O)CC4)[H])[H])[H])(C[C@]8([C@@]2(C(C)=C(CC[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C)O8)[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(OC9OCC(O)C(O)C9O)C(O)C7O)CC16

Other Names for this Substance

  • Furost-20(22)-en-6-one, 3-[(O-α-L-arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-, (3β,5α,25R)-
  • (3β,5α,25R)-3-[(O-α-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)furost-20(22)-en-6-one
  • Chinenoside II
  • 26-O-β-D-Glucopyranosyl3β,26-didyroxy-25(R)-5α-furostan-20(22)-en-6-one3-O-β-D-xylopyranosyl(1→4)-[α-L-arabinopyranosyl(1→6)]-β-D-glucopyranoside

CAS INSIGHTSTM
Hourglass and a clock