4-Acetoxy-1-hydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate
[CAS 159383-93-4]

Identification

• Name: 4-Acetoxy-1-hydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate
• Synonyms: 4-Acetoxy-1-hydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate; 4-Acetoxy-1-hydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl-benzoat; 7,10-Bis[O-(triethylsilyl)]-10-deacetyl-13-O-trimethylsilyl Baccatin III
• Molecular Formula: C₄₄H₇₂O₁₀Si₃
• Molecular Weight: 845.29
• CAS Registry Number: 159383-93-4
• SMILES: CC[Si](CC)(CC)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(CC(C3OC(=O)c5ccccc5)(C4(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)OC(=O)C
• InChI: 1S/C44H72O10Si3/c1-15-56(16-2,17-3)53-33-26-34-43(28-49-34,51-30(8)45)37-39(50-40(47)31-24-22-21-23-25-31)44(48)27-32(52-55(12,13)14)29(7)35(41(44,9)10)36(38(46)42(33,37)11)54-57(18-4,19-5)20-6/h21-25,32-34,36-37,39,48H,15-20,26-28H2,1-14H3
• InChIKey: CYABQVXMGTVARC-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 738.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 400.3±32.9°C (Cal.)
• Refractive index: 1.526 (Cal.)