Identifiers

• Canonical SMILES:

  CO[C@H]1[C@@H](CC(=O)O[C@H](C)\C=C/C=C/C[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(C)=O

• IUPAC name:

  (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)

• InChi:

  InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-15,18,23-27,29-31,34-41,46,49-50H,16-17,19-22H2,1-11H3/b14-12+,15-13-/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

• InChiKey:

  PDCICSSHRGGICK-BVVLUKMUSA-N

• SMARTS:

  [#6]-[#8]-[#6@H]1-[#6@@H](-[#6]-[#6](=[#8])-[#8]-[#6@H](-[#6])/[#6]=[#6]\[#6]=[#6]\[#6]-[#6@H](-[#8])-[#6@H](-[#6])-[#6]-[#6@H](-[#6]-[#6]=[#8])-[#6@@H]-1-[#8]-[#6@@H]1-[#8]-[#6@H](-[#6])-[#6@@H](-[#8]-[#6@H]2-[#6]-[#6@@](-[#6])(-[#8])-[#6@@H](-[#8]-[#6](=[#8])-[#6]-[#6](-[#6])-[#6])-[#6@H](-[#6])-[#8]-2)-[#6@@H](-[#6@H]-1-[#8])-[#7](-[#6])-[#6])-[#8]-[#6](-[#6])=[#8]

Chemistry rules

External links

52942972 JOS

RNA-SM complexes