(2alpha,3xi,5beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-5,20-epoxytaxa-6,11-dien-2-yl benzoate
[CAS# 165065-02-1]

Identification

• Name: (2alpha,3xi,5beta,10beta,13alpha)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-phenylpropanoyl]oxy}-1-hydroxy-9-oxo-5,20-epoxytaxa-6,11-dien-2-yl benzoate
• Synonyms: 2'-O-(tert-Butyldimethylsilyl)-6,7-dehydropaclitaxel
• Molecular Formula: C₅₃H₆₃NO₁₃Si
• Molecular Weight: 950.15
• CAS Registry Number: 165065-02-1
• SMILES: CC1=C2[C@H](C(=O)[C@@]3(C=C[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)C)OC(=O)C
• InChI: 1S/C53H63NO13Si/c1-31-37(64-48(60)42(67-68(10,11)49(4,5)6)40(34-21-15-12-16-22-34)54-46(58)35-23-17-13-18-24-35)29-53(61)45(65-47(59)36-25-19-14-20-26-36)43-51(9,28-27-38-52(43,30-62-38)66-33(3)56)44(57)41(63-32(2)55)39(31)50(53,7)8/h12-28,37-38,40-43,45,61H,29-30H2,1-11H3,(H,54,58)/t37-,38+,40-,41+,42+,43?,45-,51+,52-,53+/m0/s1
• InChIKey: STDWDYDOHOANPV-YWEKHJBCSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 925.732°C at 760 mmHg (Cal.)
• Flash point: 513.664°C (Cal.)
• Refractive index: 1.598 (Cal.)