[6-[6-[[(11Z,13E)-4-Acetyloxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] 3-Methylbutanoate
[CAS# 74290-44-1]

Identification

• Name: [6-[6-[[(11Z,13E)-4-Acetyloxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] 3-Methylbutanoate
• Synonyms: [6-[6-[[(11Z,13E)-4-Acetoxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-7-(2-Oxoethyl)-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] 3-Methylbutanoate; 3-Methylbutanoic Acid [6-[[6-[[(11Z,13E)-4-Acetoxy-16-Ethyl-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-7-(2-Oxoethyl)-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; 3-Methylbutyric Acid [6-[6-[[(11Z,13E)-4-Acetoxy-16-Ethyl-2,10-Diketo-7-(2-Ketoethyl)-5,9,13-Trimethyl-15-Methylol-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: C₄₅H₇₃NO₁₅
• Molecular Weight: 868.07
• CAS Registry Number: 74290-44-1
• SMILES: C(C3C(OC2OC(C(OC1OC(C(OC(=O)CC(C)C)C(O)(C1)C)C)C(N(C)C)C2O)C)C(C(OC(=O)C)CC(OC(C(\C=C(\C=C/C(=O)C(C3)C)C)CO)CC)=O)C)C=O
• InChI: 1S/C45H73NO15/c1-13-34-32(23-48)19-25(4)14-15-33(50)26(5)20-31(16-17-47)41(27(6)35(57-30(9)49)21-37(52)58-34)61-44-40(53)39(46(11)12)42(28(7)56-44)60-38-22-45(10,54)43(29(8)55-38)59-36(51)18-24(2)3/h14-15,17,19,24,26-29,31-32,34-35,38-44,48,53-54H,13,16,18,20-23H2,1-12H3/b15-14-,25-19+
• InChIKey: NULCSEGISRITNK-SNHUTLMUSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 915.43°C at 760 mmHg (Cal.)
• Flash point: 507.434°C (Cal.)