SpectraBase Compound ID | KY96PziveW2 |
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InChI | InChI=1S/C50H65NO15/c1-10-11-12-19-24-35(54)63-39-36-28(2)32(62-44(58)38(55)37(30-20-15-13-16-21-30)51-45(59)66-46(4,5)6)26-50(60,47(36,7)8)42(64-43(57)31-22-17-14-18-23-31)40-48(9,41(39)56)33(53)25-34-49(40,27-61-34)65-29(3)52/h13-18,20-23,32-34,37-40,42,53,55,60H,10-12,19,24-27H2,1-9H3,(H,51,59)/t32-,33-,34+,37-,38+,39+,40-,42-,48+,49-,50+/m0/s1 |
InChIKey | RTLMAUVLTALKEU-SDOXMHBNSA-N |
Mol Weight | 920.1 g/mol |
Molecular Formula | C50H65NO15 |
Exact Mass | 919.43542 g/mol |
SpectraBase Spectrum ID | HGELDryO9T6 |
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Name | 10-HEPTANOYL-DOCETAXEL |
Compound Number | 7B |
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(54)63-39-36-28(2)32(62-44(58)38(55)37(30-20-15-13-16-21-30)51-45(59)66-46(4,5)6)26-50(60,47(36,7)8)42(64-43(57)31-22-17-14-18-23-31)40-48(9,41(39)56)33(53)25-34-49(40,27-61-34)65-29(3)52/h13-18,20-23,32-34,37-40,42,53,55,60H,10-12,19,24-27H2,1-9H3,(H,51,59)/t32-,33-,34+,37-,38+,39+,40-,42-,48+,49-,50+/m0/s1 |
InChIKey | RTLMAUVLTALKEU-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 | UWVN20064 |