Sodium (3β,5α,6α)-6-{[6-deoxy-β-D-glucopyranosyl-(1->2)-[6-deoxy-β-D-glucopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)]-β-D-xylopyranosyl-(1->3)-6-deoxy-β-D-glucopyranosyl]oxy} -20-hydroxy-23-oxoergost-9(11)-en-3-yl sulfate

More details:

• Systematic name

  Sodium (3beta,5alpha,6alpha)-6-{[6-deoxy-beta-D-glucopyranosyl-(1->2)-[6-deoxy-beta-D-glucopyranosyl-(1->2)-beta-D-mannopyranosyl-(1->4)]-beta-D-xylopyranosyl-(1->3)-6-deoxy-beta-D-glucopyranosyl]oxy} -20-hydroxy-23-oxoergost-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@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)(CC(=O)[C@H](C)C(C)C)O)C)O)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,26+,27+,28+,30-,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

  XXJQXGJSOAYJEV-NZHUWKPXSA-M

• Cite this record

  CSID:29216046, http://www.chemspider.com/Chemical-Structure.29216046.html (accessed 23:15, Jul 3, 2024)