Spirostan-2-one, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-

CAS Registry Number®

218934-74-8

CAS Name

Spirostan-2-one, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-

Molecular Formula

C56H90O29

Molecular Mass

1227.30

Cite this Page

Spirostan-2-one, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218934-74-8 (retrieved 2024-11-22) (CAS RN: 218934-74-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H90O29/c1-19-5-8-56(75-17-19)20(2)34-29(85-56)10-23-21-9-25(61)24-11-28(26(62)12-55(24,4)22(21)6-7-54(23,34)3)76-50-43(72)40(69)45(33(16-60)80-50)81-53-48(47(38(67)32(15-59)79-53)83-49-41(70)35(64)27(63)18-74-49)84-52-44(73)46(37(66)31(14-58)78-52)82-51-42(71)39(68)36(65)30(13-57)77-51/h19-25,27-53,57-61,63-73H,5-18H2,1-4H3/t19-,20+,21-,22+,23+,24-,25-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50-,51+,52+,53+,54+,55-,56-/m1/s1

InChIKey

InChIKey=JPQIKXKRKWQQOU-YNXBLNQZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@]([C@H](O)C3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O)C(=O)C4)[H])[H])[H])(C[C@]%10([C@@]2([C@H](C)[C@]%11(O%10)CC[C@@H](C)CO%11)[H])[H])[H]

Canonical SMILES

O=C1CC2(C)C(CC1OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C3O)C(O)CC8C2CCC9(C)C8CC%10OC%11(OCC(C)CC%11)C(C)C%109

Other Names for this Substance

  • Spirostan-2-one, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl)oxy]-6-hydroxy-, (3β,5α,6β,25R)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration