Disodium (3β,13α)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-β-D-glucopyranosyl-(1->3)-6-O-sulfonato-β-D-glucopyranosyl-(1->4)-[β-D-xylopyranosyl-(1->2)]-6-deoxy-β -D-glucopyranosyl-(1->2)-4-O-sulfonato-β-D-xylopyranoside

More details:

• Systematic name

  Disodium (3beta,13alpha)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-6-O-sulfonato-beta-D-glucopyranosyl-(1->4)-[beta-D-xylopyranosyl-(1->2)]-6-deoxy-beta -D-glucopyranosyl-(1->2)-4-O-sulfonato-beta-D-xylopyranoside

• 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]3CC[C@]4([C@H](C3(C)C)CC[C@@H]5C4=CC[C@]67[C@]5(CC(=O)[C@@H]6[C@](OC7=O)(C)CCCC(=C)C)C)C)OS(=O)(=O)[O-])O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COS(=O)(=O)[O-])O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O.[Na+].[Na+]

• Std. InChi

  InChI=1S/C59H92O32S2.2Na/c1-24(2)11-10-16-58(8)48-28(61)19-57(7)27-12-13-33-55(4,5)34(15-17-56(33,6)26(27)14-18-59(48,57)54(71)90-58)85-52-46(38(66)32(22-80-52)91-93(75,76)77)89-53-47(88-49-39(67)35(63)29(62)21-79-49)40(68)43(25(3)82-53)86-51-42(70)45(37(65)31(84-51)23-81-92(72,73)74)87-50-41(69)44(78-9)36(64)30(20-60)83-50;;/h14,25,27,29-53,60,62-70H,1,10-13,15-23H2,2-9H3,(H,72,73,74)(H,75,76,77);;/q;2*+1/p-2/t25-,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+,56-,57+,58+,59+;;/m1../s1

• Std. InChIKey

  BGZHEBCJCALRRM-UOPDMBCZSA-L

• Cite this record

  CSID:35517099, http://www.chemspider.com/Chemical-Structure.35517099.html (accessed 18:21, Jun 15, 2024)