| SpectraBase Compound ID | B1tM3SMlGjB |
|---|---|
| InChI | InChI=1S/C52H69NO15/c1-10-11-12-13-14-21-26-37(56)65-41-38-30(2)34(64-46(60)40(57)39(32-22-17-15-18-23-32)53-47(61)68-48(4,5)6)28-52(62,49(38,7)8)44(66-45(59)33-24-19-16-20-25-33)42-50(9,43(41)58)35(55)27-36-51(42,29-63-36)67-31(3)54/h15-20,22-25,34-36,39-42,44,55,57,62H,10-14,21,26-29H2,1-9H3,(H,53,61)/t34-,35-,36+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1 |
| InChIKey | WEJVXUBXWQFIRQ-PRAKAINVSA-N |
| Mol Weight | 948.1 g/mol |
| Molecular Formula | C52H69NO15 |
| Exact Mass | 947.466721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1KXiFOPHjQP |
|---|---|
| Name | 10-NONANOYL-DOCETAXEL |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69NO15 |
| InChI | InChI=1S/C52H69NO15/c1-10-11-12-13-14-21-26-37(56)65-41-38-30(2)34(64-46(60)40(57)39(32-22-17-15-18-23-32)53-47(61)68-48(4,5)6)28-52(62,49(38,7)8)44(66-45(59)33-24-19-16-20-25-33)42-50(9,43(41)58)35(55)27-36-51(42,29-63-36)67-31(3)54/h15-20,22-25,34-36,39-42,44,55,57,62H,10-14,21,26-29H2,1-9H3,(H,53,61)/t34-,35-,36+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1 |
| InChIKey | WEJVXUBXWQFIRQ-PRAKAINVSA-N |
| Literature Reference Author | D.GUENARD,S.THORET,J.DUBOIS,M.T.ADELINE,Q.WANG,F.GUERITTE |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,145(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(99)00279-5 |
| Molecular Weight | 948.118 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20067 |