| SpectraBase Compound ID | AW5XGMLyu9N |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XYNPYHXGMWJBLV-NHTATXSESA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F62BRgVhnSf |
|---|---|
| Name | TOMATIDINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XYNPYHXGMWJBLV-NHTATXSESA-N |
| Literature Reference Author | T.NAGAOKA,T.YOSHIHARA,J.OHRA,S.SAKAMURA |
| Literature Reference Citation | PHYTOCHEM.,34,1153(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90734-9 |
| Molecular Weight | 415.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6942 |