| SpectraBase Compound ID | Gk4TBrIlPti |
|---|---|
| InChI | InChI=1S/C50H75NO15Si.C2H6/c1-16-67(17-2,18-3)66-35-25-36-49(27-60-36,64-31(8)53)39-41(63-42(55)32-22-20-19-21-23-32)50(59)26-33(29(6)37(46(50,12)13)38(61-30(7)52)40(54)47(35,39)14)62-43(56)48(15,58)34(24-28(4)5)51-44(57)65-45(9,10)11;1-2/h19-23,28,33-36,38-39,41,58-59H,16-18,24-27H2,1-15H3,(H,51,57);1-2H3/t33-,34-,35-,36+,38+,39-,41-,47?,48-,49-,50+;/m0./s1 |
| InChIKey | QTAFDHSHTFQNMQ-KXGJJDLDSA-N |
| Mol Weight | 988.3 g/mol |
| Molecular Formula | C52H81NO15Si |
| Exact Mass | 987.537547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EspY23BIEMA |
|---|---|
| Name | 2'-METHYL-TAXANE;SYN-ISOMER |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H81NO15Si |
| InChI | InChI=1S/C50H75NO15Si.C2H6/c1-16-67(17-2,18-3)66-35-25-36-49(27-60-36,64-31(8)53)39-41(63-42(55)32-22-20-19-21-23-32)50(59)26-33(29(6)37(46(50,12)13)38(61-30(7)52)40(54)47(35,39)14)62-43(56)48(15,58)34(24-28(4)5)51-44(57)65-45(9,10)11;1-2/h19-23,28,33-36,38-39,41,58-59H,16-18,24-27H2,1-15H3,(H,51,57);1-2H3/t33-,34-,35-,36+,38+,39-,41-,47?,48-,49-,50+;/m0./s1 |
| InChIKey | QTAFDHSHTFQNMQ-KXGJJDLDSA-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 | 988.298 g/mol |
| Sample ID | 42524 |
| Solvent | CDCl3 |