| SpectraBase Compound ID | 9mYPnGWYN7r |
|---|---|
| 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-PYHJMZEMSA-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 | LNmsFuz646q |
|---|---|
| Name | TOMATIDINE |
| 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-PYHJMZEMSA-N |
| Literature Reference Author | S.MATSUSHITA,Y.YANAI,A.FUSYUKU,T.IKEDA,M.ONO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1079(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1079 |
| Molecular Weight | 415.660 g/mol |
| Sample ID | 56065 |
| Solvent | Unknown |