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Calein A

View entire compound with spectra: 1 NMR

Calein A
SpectraBase Compound ID IzBaAX4vXf7
InChI InChI=1S/C22H28O8/c1-7-12(3)20(25)30-18-17-13(4)21(26)29-15(17)10-11(2)8-9-16(24)22(6,27)19(18)28-14(5)23/h7-9,11,15,17-19,27H,4,10H2,1-3,5-6H3/b9-8-,12-7-
InChIKey DXPFQBFCOCKNEU-JRIAKMGRSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYzb7nC1pn9
Name Calein A
CAS Registry Number 63194-22-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-7-12(3)20(25)30-18-17-13(4)21(26)29-15(17)10-11(2)8-9-16(24)22(6,27)19(18)28-14(5)23/h7-9,11,15,17-19,27H,4,10H2,1-3,5-6H3/b9-8-,12-7-
InChIKey DXPFQBFCOCKNEU-JRIAKMGRSA-N
Instrument Name Bruker HX-270
Literature Reference W. Herz, N. Kumar, Phytochem. 19, 593 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3