(1β,3β,5α,16β,22S)-3,22-Dihydroxy-1-{[6-O-(3,4,5-trimethoxybenzoyl)-β-D-glucopyranosyl]oxy}cholestan-16-yl β-D-glucopyranoside

More details:

• Systematic name

  (1beta,3beta,5alpha,16beta,22S)-3,22-Dihydroxy-1-{[6-O-(3,4,5-trimethoxybenzoyl)-beta-D-glucopyranosyl]oxy}cholestan-16-yl beta-D-glucopyranoside

• SMILES

  C[C@@H]([C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H](C[C@@H](C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC(=C(C(=C6)OC)OC)OC)O)O)O)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[C@H](CCC(C)C)O

• Std. InChi

  InChI=1S/C49H78O18/c1-22(2)9-12-30(52)23(3)37-31(64-46-42(57)40(55)38(53)34(20-50)65-46)19-29-27-11-10-25-17-26(51)18-36(49(25,5)28(27)13-14-48(29,37)4)67-47-43(58)41(56)39(54)35(66-47)21-63-45(59)24-15-32(60-6)44(62-8)33(16-24)61-7/h15-16,22-23,25-31,34-43,46-47,50-58H,9-14,17-21H2,1-8H3/t23-,25+,26-,27-,28+,29+,30+,31+,34-,35-,36-,37+,38-,39-,40+,41+,42-,43-,46-,47+,48+,49+/m1/s1

• Std. InChIKey

  CJAONFHPXWHKGS-AQRANOECSA-N

• Cite this record

  CSID:9666344, http://www.chemspider.com/Chemical-Structure.9666344.html (accessed 16:55, Apr 25, 2024)