| SpectraBase Compound ID | 5mMf7zSzBE6 |
|---|---|
| InChI | InChI=1S/C51H77NO15Si/c1-16-49(59,35(25-29(5)6)52-45(58)66-46(10,11)12)44(57)63-34-27-51(60)42(64-43(56)33-23-21-20-22-24-33)40-48(15,41(55)39(62-31(8)53)38(30(34)7)47(51,13)14)36(67-68(17-2,18-3)19-4)26-37-50(40,28-61-37)65-32(9)54/h20-24,29,34-37,39-40,42,59-60H,16-19,25-28H2,1-15H3,(H,52,58)/t34-,35-,36-,37+,39+,40-,42-,48+,49+,50-,51+/m0/s1 |
| InChIKey | YROBYUQLUJYJFU-XUFDYMHZSA-N |
| Mol Weight | 972.3 g/mol |
| Molecular Formula | C51H77NO15Si |
| Exact Mass | 971.506247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VrehGcTDCA |
|---|---|
| Name | 2'-ETHYL-TAXANE;MAJOR-ISOMER;ANTI-ISOMER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H77NO15Si |
| InChI | InChI=1S/C51H77NO15Si/c1-16-49(59,35(25-29(5)6)52-45(58)66-46(10,11)12)44(57)63-34-27-51(60)42(64-43(56)33-23-21-20-22-24-33)40-48(15,41(55)39(62-31(8)53)38(30(34)7)47(51,13)14)36(67-68(17-2,18-3)19-4)26-37-50(40,28-61-37)65-32(9)54/h20-24,29,34-37,39-40,42,59-60H,16-19,25-28H2,1-15H3,(H,52,58)/t34-,35-,36-,37+,39+,40-,42-,48+,49+,50-,51+/m0/s1 |
| InChIKey | YROBYUQLUJYJFU-XUFDYMHZSA-N |
| Literature Reference Author | P.DAMBRUOSO,C.BASSARELLO,G.BIFULCO,G.APPENDINO,A.BATTAGLIA,G .FONTANA,L.GOMEZ-PAL |
| Literature Reference Citation | ORG.LETTERS,7,983(2005) |
| Literature Reference DOI | 10.1021/ol047600d |
| Molecular Weight | 972.256 g/mol |
| Sample ID | 42515 |
| Solvent | CDCl3 |