Sodium (3β,5α,6α,22R,23S)-6-{[6-deoxy-β-D-galactopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->4)-[6-deoxy-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl-(1->3)-6-deoxy-β- D-glucopyranosyl]oxy}-20-hydroxy-22,23-epoxycholest-9(11)-en-3-yl sulfate

More details:

• Systematic name

  Sodium (3beta,5alpha,6alpha,22R,23S)-6-{[6-deoxy-beta-D-galactopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->4)-[6-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->3)-6-deoxy-beta- D-glucopyranosyl]oxy}-20-hydroxy-22,23-epoxycholest-9(11)-en-3-yl sulfate

• SMILES

  C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O[C@H]5[C@@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6C[C@H]7[C@@H]8CC[C@@H]([C@]8(CC=C7[C@@]9([C@@H]6C[C@H](CC9)OS(=O)(=O)[O-])C)C)[C@](C)([C@H]1[C@@H](O1)CC(C)C)O)C)O)CO)C)O)O)O)O)O.[Na+]

• Std. InChi

  InChI=1S/C57H94O28S.Na/c1-20(2)16-31-49(78-31)57(9,70)33-11-10-27-26-18-30(29-17-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)79-52-44(69)46(37(62)24(6)76-52)82-54-48(84-51-42(67)39(64)35(60)22(4)75-51)43(68)45(32(19-58)80-54)81-53-47(40(65)36(61)23(5)77-53)83-50-41(66)38(63)34(59)21(3)74-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21-,22-,23-,24-,25+,26+,27+,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-;/m1./s1

• Std. InChIKey

  ZQJZKYQZUCQUQN-DUQBKYJVSA-M

• Cite this record

  CSID:34981792, http://www.chemspider.com/Chemical-Structure.34981792.html (accessed 23:31, Jul 3, 2024)