Description
Cabazitaxel intermediate is extracted from the barks of Taxus yunnanensis.
Synonyms
5-[(2α,5β,7β,10β,13α)-4-Acetoxy-2-(benzoyloxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl] 3-(2-methyl-2-propanyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate; 3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, (4S,5R)-; Cabazitaxel N-2; Docetaxel Impurity 62
IUPAC Name
5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
Molecular Formula
C51H59NO15
Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C5C(N(C(O5)C6=CC=C(C=C6)OC)C(=O)OC(C)(C)C)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)O
InChI
InChI=1S/C51H59NO15/c1-27-33(63-45(58)39-37(29-16-12-10-13-17-29)52(46(59)67-47(3,4)5)43(64-39)30-20-22-32(61-9)23-21-30)25-51(60)42(65-44(57)31-18-14-11-15-19-31)40-49(8,41(56)38(55)36(27)48(51,6)7)34(54)24-35-50(40,26-62-35)66-28(2)53/h10-23,33-35,37-40,42-43,54-55,60H,24-26H2,1-9H3/t33-,34-,35+,37-,38+,39+,40-,42-,43?,49+,50-,51+/m0/s1
InChIKey
CGTCCJVJZUCIAC-GMGVFTHMSA-N
Boiling Point
950.9±65.0°C at 760 mmHg
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate