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Tomatidine
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdbMINYRfF4
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 Phytochem. 19, 299 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3