| SpectraBase Compound ID | 5h7JdREmfJt |
|---|---|
| InChI | InChI=1S/C54H73NO15/c1-10-11-12-13-14-15-16-23-28-39(58)67-43-40-32(2)36(66-48(62)42(59)41(34-24-19-17-20-25-34)55-49(63)70-50(4,5)6)30-54(64,51(40,7)8)46(68-47(61)35-26-21-18-22-27-35)44-52(9,45(43)60)37(57)29-38-53(44,31-65-38)69-33(3)56/h17-22,24-27,36-38,41-44,46,57,59,64H,10-16,23,28-31H2,1-9H3,(H,55,63)/t36-,37-,38+,41-,42+,43+,44-,46-,52+,53-,54+/m0/s1 |
| InChIKey | WNTWUWVJYBKNNQ-LNIXJACCSA-N |
| Mol Weight | 976.2 g/mol |
| Molecular Formula | C54H73NO15 |
| Exact Mass | 975.498021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8luphJmknjU |
|---|---|
| Name | 10-UNDECANOYL-DOCETAXEL |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H73NO15 |
| InChI | InChI=1S/C54H73NO15/c1-10-11-12-13-14-15-16-23-28-39(58)67-43-40-32(2)36(66-48(62)42(59)41(34-24-19-17-20-25-34)55-49(63)70-50(4,5)6)30-54(64,51(40,7)8)46(68-47(61)35-26-21-18-22-27-35)44-52(9,45(43)60)37(57)29-38-53(44,31-65-38)69-33(3)56/h17-22,24-27,36-38,41-44,46,57,59,64H,10-16,23,28-31H2,1-9H3,(H,55,63)/t36-,37-,38+,41-,42+,43+,44-,46-,52+,53-,54+/m0/s1 |
| InChIKey | WNTWUWVJYBKNNQ-LNIXJACCSA-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 | 976.171 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20071 |