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Bergenin monohydrate

View entire compound with spectra: 2 NMR, and 2 FTIR

Bergenin monohydrate
SpectraBase Compound ID CDWIz8dZSH3
InChI InChI=1S/C14H16O9.O/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12;/h2,6,8,10,12-13,15-19H,3H2,1H3;/t6-,8-,10+,12+,13-;/m1./s1
InChIKey WURCMNTZJJZJNH-YOKSUNLASA-N
Mol Weight 344.27 g/mol
Molecular Formula C14H16O10
Exact Mass 344.074347 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JTkI9Js0Esf
Name Bergenin monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 346667
CAS Registry Number 108032-11-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O10
InChI InChI=1S/C14H16O9.O/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12;/h2,6,8,10,12-13,15-19H,3H2,1H3;/t6-,8-,10+,12+,13-;/m1./s1
InChIKey WURCMNTZJJZJNH-YOKSUNLASA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate
Wiley ID SIAL_13CNMR_007240