| SpectraBase Compound ID | VpMJtUGOcF |
|---|---|
| InChI | InChI=1S/C52H79NO15Si/c1-17-69(18-2,19-3)68-37-26-38-50(28-62-38,66-33(10)55)41-43(65-44(57)34-23-21-20-22-24-34)51(60)27-35(31(8)39(48(51,14)15)40(63-32(9)54)42(56)49(37,41)16)64-45(58)52(61,30(6)7)36(25-29(4)5)53-46(59)67-47(11,12)13/h20-24,29-30,35-38,40-41,43,60-61H,17-19,25-28H2,1-16H3,(H,53,59)/t35-,36-,37-,38+,40+,41-,43-,49+,50-,51+,52-/m0/s1 |
| InChIKey | ZHDDJCHUGYWUKD-WFQNMGETSA-N |
| Mol Weight | 986.3 g/mol |
| Molecular Formula | C52H79NO15Si |
| Exact Mass | 985.521897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Eis7jUIWPT |
|---|---|
| Name | 2'-ISOPROPYL-TAXANE;MINOR-ISOMER |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H79NO15Si |
| InChI | InChI=1S/C52H79NO15Si/c1-17-69(18-2,19-3)68-37-26-38-50(28-62-38,66-33(10)55)41-43(65-44(57)34-23-21-20-22-24-34)51(60)27-35(31(8)39(48(51,14)15)40(63-32(9)54)42(56)49(37,41)16)64-45(58)52(61,30(6)7)36(25-29(4)5)53-46(59)67-47(11,12)13/h20-24,29-30,35-38,40-41,43,60-61H,17-19,25-28H2,1-16H3,(H,53,59)/t35-,36-,37-,38+,40+,41-,43-,49+,50-,51+,52-/m0/s1 |
| InChIKey | ZHDDJCHUGYWUKD-WFQNMGETSA-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 | 986.282 g/mol |
| Sample ID | 42516 |
| Solvent | CDCl3 |