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Caesalpinine A

View entire compound with spectra: 1 NMR

Caesalpinine A
SpectraBase Compound ID HdLEr9gNlOR
InChI InChI=1S/C25H31N3O3/c29-22-15-21(18-9-3-1-4-10-18)26-13-7-8-14-28-17-20(16-27-22)23(25(28)31)24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21,23-24,26,30H,7-8,13-17H2,(H,27,29)
InChIKey SHBCCFGHZDXOET-UHFFFAOYSA-N
Mol Weight 421.54 g/mol
Molecular Formula C25H31N3O3
Exact Mass 421.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hxMfumV207
Name Caesalpinine A
CAS Registry Number 85702-14-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H31N3O3
InChI InChI=1S/C25H31N3O3/c29-22-15-21(18-9-3-1-4-10-18)26-13-7-8-14-28-17-20(16-27-22)23(25(28)31)24(30)19-11-5-2-6-12-19/h1-6,9-12,20-21,23-24,26,30H,7-8,13-17H2,(H,27,29)
InChIKey SHBCCFGHZDXOET-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference S.B. Mahato, N.P. Sahu, P.Luger, J. Am. Chem. Soc. 105, 4441 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3