| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Yhdh0vQlCS |
|---|---|
| Name | Cabazitaxel |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 835.377905505 u |
| Formula | C45H57NO14 |
| 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 |
| Molecular Weight | 835.944 g/mol |
| SMILES | N([C@]([C@](C(O[C@@]1(C(=C2C([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(C2=CC=CC=C2)=O)[H])(C1)O)(C)C)C)[H])=O)(O)[H])(C1=CC=CC=C1)[H])C(=O)OC(C)(C)C |