[(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)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-2,4-Dimethyl-4-Propanoyloxyoxan-3-Yl] Butanoate
[CAS# 74014-51-0]

Identification

• Classification: API >> Antibiotics >> Macrolide drug
• Name: [(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)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-2,4-Dimethyl-4-Propanoyloxyoxan-3-Yl] Butanoate
• Synonyms: [(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)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2,4-Dimethyl-4-Propanoyloxy-Tetrahydropyran-3-Yl] Butanoate; Butanoic 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)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-2,4-Dimethyl-4-(1-Oxopropoxy)-3-Tetrahydropyranyl] Ester; Butyric Acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-Dihydroxy-2-Keto-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2,4-Dimethyl-4-Propionyloxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₂H₆₉NO₁₅
• Molecular Weight: 828.00
• CAS Registry Number: 74014-51-0
• SMILES: [C@@H]1([C@H](C[C@H]([C@H](\C=C\C=C\C[C@H](OC(C[C@H]([C@@H]1OC)O)=O)C)O)C)CC=O)O[C@H]3[C@@H]([C@H]([C@H](O[C@H]2C[C@]([C@@H](OC(CCC)=O)[C@@H](O2)C)(OC(CC)=O)C)[C@H](O3)C)N(C)C)O
• InChI: 1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
• InChIKey: VYWWNRMSAPEJLS-MDWYKHENSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 879.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 485.6±34.3°C (Cal.)