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TAXOL

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A2.Physical Properties & Data


 
Chemical Name: Paclitaxel
Registered Name: Taxol
IUPAC official Name (Generated using Autonom Pro): Benzenepropanoic acid, beta - (benzoylamino) - alpha - hydroxy -, 6, 12b - bis(acetyloxy) - 12 - (benzoyloxy) - 2a, 3, 4, 4a, 5, 6, 9, 10, 11, 12, 12a - , 12b - dodecahydro -  4, 11 - dihydroxy - 4a, 8, 13, 13 - tetramethyl - 5 - oxo - 7,11-methano - 1H -  cyclodeca(3, 4)benz(1, 2-b)oxet - 9 - yl ester, (2aR - (2a - alpha, 4beta, 4a - beta, 6beta, 9alpha(alphaR*, betaS*), 11alpha, 1 - 2alpha, 12a - alpha, 12b - alpha) - (9CI)
CAS Registry Numbers: 33069-62-4, 105454-04-4, 119323-97-6, 147557-12-8, 148553-70-2, 149197-23-9
Beilstein Registry Number: Beilstein Registry Number    1420456
Molecular Formula: C47H51NO14
Molecular Weight: 853.92 g mol-1
Physical Appearance: Colourless to slightly yellow viscous solution.  Or (in pure form) an off-white crystalline powder.
Cost28 10.80 per 1mg.
Melting Point: 198oC-203oC22, 220oC-222oC23
Optical Rotatory Power: Alpha, -42o, 589 nm22.
Biological Function: Cytotoxic activity in the L-1210 cell culture assay, IC50 = 0.024 mM23.
NMR Spectrum: taxolnmr.gif (2569 bytes)
Generated using the program gnmr to simulate a 100MHz proton nmr spectrometer.

Main source of reference for above data - Beilstein Chemical Database.