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Tomatidine

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Tomatidine
SpectraBase Compound ID GiODFw6xCOK
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-PUHUBZITSA-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 LUWLhqEU4kq
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-PUHUBZITSA-N
Literature Reference Author S.MATSUSHITA,Y.YANAI,A.FUSYUKU,Y.FUJIWARA,T.IKEDA,M.ONO,C.HA N,M.OJIKA,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,55,1077(2007)
Literature Reference DOI 10.1248/cpb.55.1077
Molecular Weight 415.660 g/mol
Sample ID 56059
Solvent CDCl3