(3β,5α,22β,25S)-Spirosolan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

CAS Registry Number®

81037-16-3

CAS Name

(3β,5α,22β,25S)-Spirosolan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

Molecular Formula

C39H65NO12

Molecular Mass

739.93

Cite this Page

(3β,5α,22β,25S)-Spirosolan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81037-16-3 (retrieved 2024-11-22) (CAS RN: 81037-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1

InChIKey

InChIKey=KNFKROLCBJOHLX-LGOSNWDOSA-N

SMILES

C[C@@H]1[C@@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](CC5)(C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])[H])CC[C@H](C)CN2

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(NCC(C)CC8)C(C)C76)C3)OC2CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,22β,25S)-spirosolan-3-yl 4-O-β-D-glucopyranosyl-
  • γ-Tomatine
  • (3β,5α,22β,25S)-Spirosolan-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Tomatidine lycobiose
  • Lycoperoside D

CAS INSIGHTSTM
Targeted protein degrader structure, illustration