(3β,5α,6β,25S)-26-(β-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

CAS Registry Number®

186545-34-6

CAS Name

(3β,5α,6β,25S)-26-(β-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Molecular Formula

C57H96O30

Molecular Mass

1261.35

Cite this Page

(3β,5α,6β,25S)-26-(β-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186545-34-6 (retrieved 2024-11-22) (CAS RN: 186545-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)5-10-57(76)21(2)34-28(87-57)13-25-23-12-27(63)26-11-22(6-8-55(26,3)24(23)7-9-56(25,34)4)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,5-19H2,1-4H3/t20-,21-,22-,23+,24-,25-,26+,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-,57?/m0/s1

InChIKey

InChIKey=WYWLHHWQKOHXHW-LMRVHEFOSA-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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O)CC4)[H])[H])[H])(C[C@]9([C@@]2([C@H](C)C(CC[C@@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C)(O)O9)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CC(O)C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,6β,25S)-26-(β-D-glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
  • (3β,5α,6β,25S)-26-(β-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Protoisoeruboside B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration