Sodium (3β,5α,6α,22R,23S)-6-{[6-deoxy-β-D-galactopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-[6-deoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranosyl-(1->3)-6-deoxy-β-D-glucopyra nosyl]oxy}-20-hydroxy-8-methyl-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)-beta-D-mannopyranosyl-(1->4)-[6-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-xylopyranosyl-(1->3)-6-deoxy-beta-D-glucopyra nosyl]oxy}-20-hydroxy-8-methyl-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](CO[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)O[C@H]4C[C@]5([C@@H]6CC[C@@H]([C@]6(CC=C5[C@@]7([C@@H]4C[C@H](CC7)OS(=O)(=O)[O-])C)C)[C@](C)([C@H]8[C@@H](O8)CC(C)C)O)C)C)O)O[C@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)O.[Na+]

• Std. InChi

  InChI=1S/C57H94O28S.Na/c1-21(2)16-27-48(78-27)57(9,70)33-11-10-31-55(33,7)15-13-32-54(6)14-12-25(85-86(71,72)73)17-26(54)28(18-56(31,32)8)79-51-44(69)45(36(61)24(5)77-51)82-52-46(83-49-42(67)39(64)34(59)22(3)75-49)38(63)30(20-74-52)81-53-47(41(66)37(62)29(19-58)80-53)84-50-43(68)40(65)35(60)23(4)76-50;/h13,21-31,33-53,58-70H,10-12,14-20H2,1-9H3,(H,71,72,73);/q;+1/p-1/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,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

  HEXJYFLTPNZFNB-ZJXIFVNJSA-M

• Cite this record

  CSID:29215847, http://www.chemspider.com/Chemical-Structure.29215847.html (accessed 23:13, Jul 3, 2024)