Sodium (3β)-18,22-dioxo-18,20-epoxylanosta-7,25-dien-3-yl 3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1->2)-4-O-sulfonato-β-D-xylopyranosi de

More details:

• Systematic name

  Sodium (3beta)-18,22-dioxo-18,20-epoxylanosta-7,25-dien-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-sulfonato-beta-D-xylopyranosi de

• SMILES

  [Na+].O=S([O-])(=O)O[C@H]9[C@H](O)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O[C@H]5CC[C@]4(C)[C@@H]8/C(=C\C[C@H]4C5(C)C)[C@@]7(C)[C@]6(C(=O)O[C@](C(=O)CCC(=C)\C)(C)[C@H]6CC7)CC8)OC9

• Std. InChi

  InChI=1S/C54H84O25S.Na/c1-23(2)10-13-32(57)53(8)31-15-18-52(7)26-11-12-30-50(4,5)33(16-17-51(30,6)25(26)14-19-54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h11,24-25,27-31,33-48,55-56,58-64H,1,10,12-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24-,25+,27-,28-,29-,30+,31-,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53-,54-;/m1./s1

• Std. InChIKey

  GMGVUTPHVNGSHD-QZUZWQPNSA-M

• Cite this record

  CSID:9518779, http://www.chemspider.com/Chemical-Structure.9518779.html (accessed 03:49, Jul 4, 2024)