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Cabazitaxel
SpectraBase Compound ID Bfq8w3GsqQP
InChI InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
InChIKey BMQGVNUXMIRLCK-OAGWZNDDSA-N
Mol Weight 835.9 g/mol
Molecular Formula C45H57NO14
Exact Mass 835.377906 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3E759YDv8wR
Name Cabazitaxel
Source of Sample Cayman Chemical Company
Catalog Number 22262
Lot Number 0510647-1
Apodization Function Norton-Beer, medium
CAS Registry Number 183133-96-2
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H57NO14
IUPAC Name β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-benzenepropanoic acid, (αR,βS)-(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
InChI InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
InChIKey BMQGVNUXMIRLCK-OAGWZNDDSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 835.944 g/mol
SMILES N([C@]([C@](C(O[C@@]1(\C(=C/2C([C@]([C@]([C@]3([C@](C([C@@]2(OC)[H])=O)([C@](C[C@@]2([C@]3(CO2)OC(=O)C)[H])(OC)[H])C)[H])(OC(c2ccccc2)=O)[H])(C1)O)(C)C)C)[H])=O)(O)[H])(c1ccccc1)[H])C(=O)OC(C)(C)C
Source of Spectrum Forensic Spectral Research
Technique KBr0