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CALLOSINE

View entire compound with spectra: 1 NMR

CALLOSINE
SpectraBase Compound ID 9GixedO6y3h
InChI InChI=1S/C21H31NO7/c1-12-7-13(2)21(3,26)20(25)28-11-14-9-15(10-17(23)27-4)22-6-5-16(19(14)22)29-18(24)8-12/h8,13-16,19,26H,5-7,9-11H2,1-4H3/b12-8-/t13-,14-,15-,16-,19-,21-/m1/s1
InChIKey REORBMULUMCELM-JFJOTHBMSA-N
Mol Weight 409.48 g/mol
Molecular Formula C21H31NO7
Exact Mass 409.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgS0hU4AlMh
Name CALLOSINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO7
InChI InChI=1S/C21H31NO7/c1-12-7-13(2)21(3,26)20(25)28-11-14-9-15(10-17(23)27-4)22-6-5-16(19(14)22)29-18(24)8-12/h8,13-16,19,26H,5-7,9-11H2,1-4H3/b12-8-/t13-,14-,15-,16-,19-,21-/m1/s1
InChIKey REORBMULUMCELM-JFJOTHBMSA-N
Literature Reference Author A.L.PEREZ-CASTORENA,A.ARCINIEGAS,R.P.ALONSO,J.L.VILLASENOR,A .R.DEVIVAR
Literature Reference Citation J.NAT.PROD.,61,1288(1998)
Literature Reference DOI 10.1021/np980077p
Molecular Weight 409.480 g/mol
Solvent CDCl3
Source File Reference UWCS19624