| SpectraBase Compound ID | CZSMfeAAIns |
|---|---|
| InChI | InChI=1S/C50H65NO15/c1-10-11-12-19-24-35(53)63-33-25-34-49(27-61-34,65-29(3)52)40-42(64-43(57)31-22-17-14-18-23-31)50(60)26-32(28(2)36(47(50,7)8)38(54)41(56)48(33,40)9)62-44(58)39(55)37(30-20-15-13-16-21-30)51-45(59)66-46(4,5)6/h13-18,20-23,32-34,37-40,42,54-55,60H,10-12,19,24-27H2,1-9H3,(H,51,59)/t32-,33-,34+,37-,38+,39+,40-,42-,48+,49-,50+/m0/s1 |
| InChIKey | UGPQCHFSOFAYGL-SDOXMHBNSA-N |
| Mol Weight | 920.1 g/mol |
| Molecular Formula | C50H65NO15 |
| Exact Mass | 919.43542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C69sYjg4q6S |
|---|---|
| Name | 7-HEPTANOYL-DOCETAXEL |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H65NO15 |
| InChI | InChI=1S/C50H65NO15/c1-10-11-12-19-24-35(53)63-33-25-34-49(27-61-34,65-29(3)52)40-42(64-43(57)31-22-17-14-18-23-31)50(60)26-32(28(2)36(47(50,7)8)38(54)41(56)48(33,40)9)62-44(58)39(55)37(30-20-15-13-16-21-30)51-45(59)66-46(4,5)6/h13-18,20-23,32-34,37-40,42,54-55,60H,10-12,19,24-27H2,1-9H3,(H,51,59)/t32-,33-,34+,37-,38+,39+,40-,42-,48+,49-,50+/m0/s1 |
| InChIKey | UGPQCHFSOFAYGL-SDOXMHBNSA-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 | 920.064 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20063 |