2-Debenzoyl-7,10-bis[O-(triethylsilyl)]-10-deacetyl-13-O-trimethylsilyl Baccatin III
[CAS# 159383-94-5]

Identification

• Name: 2-Debenzoyl-7,10-bis[O-(triethylsilyl)]-10-deacetyl-13-O-trimethylsilyl Baccatin III
• Synonyms: 1,2-Dihydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-4-yl acetate; 1,2-Dihydroxy-9-oxo-7,10-bis[(triethylsilyl)oxy]-13-[(trimethylsilyl)oxy]-5,20-epoxytax-11-en-4-yl-acetat
• Molecular Formula: C₃₇H₆₈O₉Si₃
• Molecular Weight: 741.19
• CAS Registry Number: 159383-94-5
• SMILES: CC[Si](CC)(CC)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(CC(C3O)(C4(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)OC(=O)C
• InChI: 1S/C37H68O9Si3/c1-15-48(16-2,17-3)45-27-21-28-36(23-42-28,43-25(8)38)31-33(40)37(41)22-26(44-47(12,13)14)24(7)29(34(37,9)10)30(32(39)35(27,31)11)46-49(18-4,19-5)20-6/h26-28,30-31,33,40-41H,15-23H2,1-14H3
• InChIKey: OPJUXNZWUHWYAM-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 658.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 351.8±31.5°C (Cal.)
• Refractive index: 1.51 (Cal.)