| SpectraBase Compound ID | 8Ukw2vD8dEx |
|---|---|
| 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-XNBITZOHSA-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 | 8Utt5cnbCjP |
|---|---|
| Name | Tomatidine |
| CAS Registry Number | 77-59-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-XNBITZOHSA-N |
| Literature Reference | K. Kaneko, K. Niitsu, Phytochem. 19, 299 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |