Sodium (3β,5α,6α,22S)-6-{[6-deoxy-β-D-galactopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl-(1->4)-[6-deoxy-β-D-glucopyranosyl-(1->2)]-β-D-xylopyranosyl-(1->3)-6-deoxy-β-D-glu copyranosyl]oxy}-20,22-dihydroxycholesta-9(11),24-dien-3-yl sulfate

More details:

• Systematic name

  Sodium (3beta,5alpha,6alpha,22S)-6-{[6-deoxy-beta-D-galactopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->4)-[6-deoxy-beta-D-glucopyranosyl-(1->2)]-beta-D-xylopyranosyl-(1->3)-6-deoxy-beta-D-glu copyranosyl]oxy}-20,22-dihydroxycholesta-9(11),24-dien-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@H]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](CC=C(C)C)O)O)C)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)O)O)O)O)O)O.[Na+]

• Std. InChi

  InChI=1S/C56H92O27S.Na/c1-21(2)10-13-34(57)56(9,69)33-12-11-28-27-19-31(30-18-26(83-84(70,71)72)14-16-54(30,7)29(27)15-17-55(28,33)8)78-51-45(68)46(38(61)25(6)76-51)80-52-47(81-49-43(66)40(63)35(58)22(3)74-49)39(62)32(20-73-52)79-53-48(42(65)37(60)24(5)77-53)82-50-44(67)41(64)36(59)23(4)75-50;/h10,15,22-28,30-53,57-69H,11-14,16-20H2,1-9H3,(H,70,71,72);/q;+1/p-1/t22-,23-,24-,25-,26+,27+,28+,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-;/m1./s1

• Std. InChIKey

  JAENAIPYAOMHMP-SNYIPQGSSA-M

• Cite this record

  CSID:44210932, http://www.chemspider.com/Chemical-Structure.44210932.html (accessed 12:06, Jun 15, 2024)