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CARNOSIC_ACID_GAMMA_LACTONE_12-NICOTINATE
SpectraBase Compound ID 9aTiMk6rTOM
InChI InChI=1S/C26H29NO4/c1-15(2)18-13-16-8-9-19-25(3,4)10-6-11-26(19)20(16)22(31-24(26)29)21(18)30-23(28)17-7-5-12-27-14-17/h5,7,12-15,19H,6,8-11H2,1-4H3/t19?,26-/m1/s1
InChIKey OGYFBONYYOSCIW-COTLDPOVSA-N
Mol Weight 419.52 g/mol
Molecular Formula C26H29NO4
Exact Mass 419.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7J8EPKIbHNX
Name CARNOSIC_ACID_GAMMA_LACTONE_12-NICOTINATE
Compound Number 1 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29NO4
InChI InChI=1S/C26H29NO4/c1-15(2)18-13-16-8-9-19-25(3,4)10-6-11-26(19)20(16)22(31-24(26)29)21(18)30-23(28)17-7-5-12-27-14-17/h5,7,12-15,19H,6,8-11H2,1-4H3/t19?,26-/m1/s1
InChIKey OGYFBONYYOSCIW-COTLDPOVSA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,J.A.RODRIGUEZ,T.YANEZ,V.LAZO,G.SCHME DA-HIRSCHMANN
Literature Reference Citation J.NAT.PROD.,73,639(2010)
Literature Reference DOI 10.1021/np900822x
Molecular Weight 419.521 g/mol
Sample ID 35260
Solvent CDCl3