(3β,5α,25R)-3-[(O-β-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)furost-20(22)-en-6-one

CAS Registry Number®

187144-80-5

CAS Name

(3β,5α,25R)-3-[(O-β-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)furost-20(22)-en-6-one

Molecular Formula

C50H80O23

Molecular Mass

1049.16

Cite this Page

(3β,5α,25R)-3-[(O-β-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)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=187144-80-5 (retrieved 2024-11-06) (CAS RN: 187144-80-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H80O23/c1-19(15-65-46-41(63)37(59)36(58)31(14-52)71-46)9-21(13-51)43-20(2)33-30(70-43)12-25-23-11-27(53)26-10-22(5-7-49(26,3)24(23)6-8-50(25,33)4)69-48-42(64)38(60)44(73-47-40(62)35(57)29(55)17-67-47)32(72-48)18-68-45-39(61)34(56)28(54)16-66-45/h19,21-26,28-42,44-48,51-52,54-64H,5-18H2,1-4H3/t19-,21?,22+,23-,24+,25+,26-,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,44-,45-,46-,47+,48-,49-,50+/m1/s1

InChIKey

InChIKey=VUAXPLNAPPGWDL-GBBSSDMXSA-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(C(C[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C)CO)O8)[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(OC9OCC(O)C(O)C9O)C(O)C7O)CC16

Other Names for this Substance

  • Furost-20(22)-en-6-one, 3-[(O-β-L-arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3β,5α,25R)-
  • (3β,5α,25R)-3-[(O-β-L-Arabinopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-23-(hydroxymethyl)furost-20(22)-en-6-one
  • Chinenoside IV

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles