(2R,3R)-2,3-Dihydroxysuccinic acid - (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-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 (1:1) (non-preferred name)

More details:

• Systematic name

  (2R,3R)-2,3-Dihydroxysuccinic acid - (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-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 (1:1) (non-preferred name)

• SMILES

  C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

• Std. InChi

  InChI=1S/C40H67NO14.C4H6O6/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10;5-1(3(7)8)2(6)4(9)10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3;1-2,5-6H,(H,7,8)(H,9,10)/b12-11+,15-13+;/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-;1-,2-/m11/s1

• Std. InChIKey

  SBOSEZRNJYUXRT-ZJFGAWFCSA-N

• Cite this record

  CSID:34984772, http://www.chemspider.com/Chemical-Structure.34984772.html (accessed 08:52, Jun 7, 2024)