[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-10-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Propanoate
[CAS 35906-56-0]

Identification

• Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-10-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Propanoate
• Synonyms: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Propanoate; Propanoic Acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Ester; Propionic Acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10-Hydroxy-2-Keto-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Ester
• Molecular Formula: C₃₈H₆₃NO₁₄
• Molecular Weight: 757.91
• CAS Registry Number: 35906-56-0
• SMILES: [C@H]2(O[C@@H]([C@@H](O[C@@H]1O[C@H]([C@H](O)[C@](O)(C1)C)C)[C@H](N(C)C)[C@H]2O)C)O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(O[C@@H](C/C=C/C=C/[C@H](O)[C@@H](C[C@@H]3CC=O)C)C)=O
• InChI: 1S/C38H63NO14/c1-10-28(42)51-27-19-29(43)48-22(3)14-12-11-13-15-26(41)21(2)18-25(16-17-40)34(35(27)47-9)53-37-32(44)31(39(7)8)33(23(4)50-37)52-30-20-38(6,46)36(45)24(5)49-30/h11-13,15,17,21-27,30-37,41,44-46H,10,14,16,18-20H2,1-9H3/b12-11+,15-13+/t21-,22-,23-,24+,25+,26+,27-,30+,31-,32-,33-,34+,35+,36+,37+,38-/m1/s1
• InChIKey: GNXVPSYTTPBCTM-RQWHEHCQSA-N