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

More details:

• Systematic name

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

• SMILES

  C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O[C@H]5[C@@H]([C@H](OC([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)(CC(=O)CC(C)C)O)CO)O)C)C)O)O)O)O)O.[Na+]

• Std. InChi

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

  BWYBZNPTQRWATQ-KWJCYKGOSA-M

• Cite this record

  CSID:24680225, http://www.chemspider.com/Chemical-Structure.24680225.html (accessed 22:38, Jul 3, 2024)