SpectraBase Spectrum ID |
8YhpE13zS8T |
Name |
Cabazitaxel |
Source of Sample |
Cayman Chemical Company |
Catalog Number |
22262 |
Lot Number |
0510647-1 |
CAS Registry Number |
183133-96-2 |
Cell Type |
Capillary tube |
Compound Type |
Pure |
Copyright |
Copyright © 2015-2024 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 |
Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
Raman Laser Power |
1401 mW |
Raman Laser Source |
Nd:YAG |
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 |
Scans Performed |
1536 |
Source of Spectrum |
Forensic Spectral Research |
Technique |
FT-Raman |