Sodium (3β,5α,6α,22R,23S,24S)-6-{[6-deoxy-β-D-galactopyranosyl-(1->2)-[6-deoxy-β-D-galactopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->4)]-6-deoxy-β-D-glucopyranosyl-(1->3)-β-D -glucopyranosyl]oxy}-20-hydroxy-22,23-epoxyergost-9(11)-en-3-yl sulfate

More details:

• Systematic name

  sodium;[(3S,5S,6S,8S,10S,13S,14S,17S)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-17-[(1R)-1-[(2R,3S)-3-[(1S)-1,2-dimethylpropyl]oxiran-2-yl]-1-hydroxy-ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-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](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C)O)O)O)O[C@H]5[C@@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6C[C@H]7[C@@H]8CC[C@@H]([C@]8(CC=C7[C@@]9([C@@H]6C[C@H](CC9)OS(=O)(=O)[O-])C)C)[C@](C)([C@H]1[C@@H](O1)[C@@H](C)C(C)C)O)CO)O)C)O)O)O)O)O.[Na+]

• Std. InChi

  InChI=1S/C57H94O28S.Na/c1-20(2)21(3)44-49(80-44)57(9,70)33-11-10-27-26-17-31(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-43(69)46(37(63)32(18-58)79-52)82-54-48(84-51-41(67)39(65)35(61)23(5)76-51)42(68)45(24(6)77-54)81-53-47(36(62)30(59)19-74-53)83-50-40(66)38(64)34(60)22(4)75-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21-,22+,23+,24+,25-,26-,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-,54-,55+,56-,57+;/m0./s1

• Std. InChIKey

  RQOPNKOMIIJJIG-XCBWUXAOSA-M

• Cite this record

  CSID:24720354, http://www.chemspider.com/Chemical-Structure.24720354.html (accessed 22:55, Jul 3, 2024)