sodium [(2R,4S,5R)-3-[(2S,3R,5R)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-yl]oxy-2-[(6R)-3-ethyl-2-methyl-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-3,6,8,15,16-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptoxy]-5-hydroxy-tetrahydropyran-4-yl] sulfate

More details:

• Systematic name

  sodium [(2R,4S,5R)-3-[(2S,3R,5R)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-yl]oxy-2-[(6R)-3-ethyl-2-methyl-6-[(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-3,6,8,15,16-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptoxy]-5-hydroxy-tetrahydropyran-4-yl] sulfate

• SMILES

  CCC(CC[C@@H](C)[C@H]1[C@H]([C@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C)O)O)C(C)CO[C@H]5C([C@H]([C@@H](CO5)O)OS(=O)(=O)[O-])O[C@H]6[C@@H](C([C@@H](CO6)O)O)OC.[Na+]

• Std. InChi

  InChI=1S/C40H70O17S.Na/c1-7-21(20(3)16-53-36-34(32(26(44)18-54-36)57-58(49,50)51)56-37-33(52-6)29(45)25(43)17-55-37)9-8-19(2)28-30(46)31(47)35-39(28,5)13-11-27-38(4)12-10-22(41)14-23(38)24(42)15-40(27,35)48;/h19-37,41-48H,7-18H2,1-6H3,(H,49,50,51);/q;+1/p-1/t19-,20?,21?,22+,23-,24+,25-,26-,27-,28+,29?,30-,31-,32+,33-,34?,35-,36-,37+,38+,39-,40+;/m1./s1

• Std. InChIKey

  XASILDAGSAIYQL-AKDMVFJJSA-M

• Cite this record

  CSID:21431306, http://www.chemspider.com/Chemical-Structure.21431306.html (accessed 01:54, Jun 30, 2024)