| SpectraBase Compound ID | 2NQcqicsxSF |
|---|---|
| InChI | InChI=1S/C55H77NO15Si/c1-15-72(16-2,17-3)71-40-29-41-53(31-65-41,69-35(8)58)44-46(68-47(60)36-24-20-18-21-25-36)54(63)30-38(33(6)42(51(54,12)13)43(66-34(7)57)45(59)52(40,44)14)67-48(61)55(64,37-26-22-19-23-27-37)39(28-32(4)5)56-49(62)70-50(9,10)11/h18-27,32,38-41,43-44,46,63-64H,15-17,28-31H2,1-14H3,(H,56,62)/t38-,39+,40-,41+,43+,44-,46-,52+,53-,54+,55-/m0/s1 |
| InChIKey | KDXJGHLEYYWLQL-ATWILIJNSA-N |
| Mol Weight | 1020.3 g/mol |
| Molecular Formula | C55H77NO15Si |
| Exact Mass | 1019.506247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EoBPaRkAKP |
|---|---|
| Name | 2'-PHENYL-TAXANE;MAJOR-ISOMER |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H77NO15Si |
| InChI | InChI=1S/C55H77NO15Si/c1-15-72(16-2,17-3)71-40-29-41-53(31-65-41,69-35(8)58)44-46(68-47(60)36-24-20-18-21-25-36)54(63)30-38(33(6)42(51(54,12)13)43(66-34(7)57)45(59)52(40,44)14)67-48(61)55(64,37-26-22-19-23-27-37)39(28-32(4)5)56-49(62)70-50(9,10)11/h18-27,32,38-41,43-44,46,63-64H,15-17,28-31H2,1-14H3,(H,56,62)/t38-,39+,40-,41+,43+,44-,46-,52+,53-,54+,55-/m0/s1 |
| InChIKey | KDXJGHLEYYWLQL-ATWILIJNSA-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 | 1020.300 g/mol |
| Sample ID | 42521 |
| Solvent | CDCl3 |