[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetyloxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-4-Propanoyloxy-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] Propanoate
[CAS# 35457-78-4]

Identification

• Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetyloxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-4-Propanoyloxy-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] Propanoate
• Synonyms: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-4-Propanoyloxy-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Propanoate; Propanoic Acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-4-(1-Oxopropoxy)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; Propionic Acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-2-Keto-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-4-Propionyloxy-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₃H₆₉NO₁₆
• Molecular Weight: 856.02
• CAS Registry Number: 35457-78-4
• SMILES: [C@H]2(O[C@@H]([C@@H](O[C@@H]1O[C@H]([C@H](OC(=O)CC)[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](OC(=O)C)[C@@H](C[C@@H]3CC=O)C)C)=O
• InChI: 1S/C43H69NO16/c1-12-32(47)57-31-22-34(49)53-25(4)17-15-14-16-18-30(56-28(7)46)24(3)21-29(19-20-45)39(40(31)52-11)60-42-37(50)36(44(9)10)38(26(5)55-42)59-35-23-43(8,51)41(27(6)54-35)58-33(48)13-2/h14-16,18,20,24-27,29-31,35-42,50-51H,12-13,17,19,21-23H2,1-11H3/b15-14+,18-16+/t24-,25-,26-,27+,29+,30+,31-,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
• InChIKey: YKKSEPVQMRNIJV-CCGCOWOLSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 875.703°C at 760 mmHg (Cal.)
• Flash point: 483.408°C (Cal.)