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berberine, sulfate, trihydrate

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berberine, sulfate, trihydrate
SpectraBase Compound ID 9wft6rAVVcr
InChI InChI=1S/2C20H18NO4.H2O4S.3H2O/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4;;;/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4);3*1H2/q2*+1;;;;/p-2
InChIKey FYBWCLKVKGHJKS-UHFFFAOYSA-L
Mol Weight 822.835 g/mol
Molecular Formula C40H42N2O15S
Exact Mass 822.23059 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wHESLTnbVS
Name berberine, sulfate, trihydrate
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42N2O15S
InChI InChI=1S/2C20H18NO4.H2O4S.3H2O/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4;;;/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4);3*1H2/q2*+1;;;;/p-2
InChIKey FYBWCLKVKGHJKS-UHFFFAOYSA-L
Instrument Name Varian A-60
Sadtler NMR Number 2826M
Solvent D2O
Synonyms BENZO/G//1,3/BENZODIOXOLO/5,6-A/- QUINOLIZINIUM SULFATE, 5,6-DIHYDRO- 9,10-DIMETHOXY-, TRIHYDRATE BERBERINE, SULFATE, TRIHYDRATE