(2alpha,3xi,5beta,6alpha,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-phenylpropanoyl]oxy}-1,6,7-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
[CAS# 211732-86-4]

Identification

• Name: (2alpha,3xi,5beta,6alpha,7beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-phenylpropanoyl]oxy}-1,6,7-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
• Synonyms: 2'-O-(tert-Butyldimethylsilyl)-6¦Á-hydroxypaclitaxel; 2'-O-(tert-Butyldimethylsilyl)-6α-hydroxypaclitaxel
• Molecular Formula: C₅₃H₆₅NO₁₅Si
• Molecular Weight: 984.17
• CAS Registry Number: 211732-86-4
• SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C
• InChI: 1S/C53H65NO15Si/c1-29-35(66-48(62)40(69-70(10,11)49(4,5)6)37(32-21-15-12-16-22-32)54-46(60)33-23-17-13-18-24-33)27-53(63)45(67-47(61)34-25-19-14-20-26-34)41-51(9,43(59)39(65-30(2)55)36(29)50(53,7)8)42(58)38(57)44-52(41,28-64-44)68-31(3)56/h12-26,35,37-42,44-45,57-58,63H,27-28H2,1-11H3,(H,54,60)/t35-,37-,38-,39+,40+,41?,42-,44+,45-,51-,52+,53+/m0/s1
• InChIKey: ACJHNDYFTFXEOF-ADQLVGGBSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 973.875°C at 760 mmHg (Cal.)
• Flash point: 542.78°C (Cal.)
• Refractive index: 1.604 (Cal.)