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trans-3,3',4',5,7-Flavanpentol hydrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

trans-3,3',4',5,7-Flavanpentol hydrate
SpectraBase Compound ID EmQukfNLbR2
InChI InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/s2
InChIKey OFUMQWOJBVNKLR-BYSCGGDUSA-N
Mol Weight 308.286 g/mol
Molecular Formula C15H16O7
Exact Mass 308.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cqvuu6nvAku
Name trans-3,3',4',5,7-Flavanpentol hydrate
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 88191-48-4
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O7
InChI InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/s2
InChIKey OFUMQWOJBVNKLR-BYSCGGDUSA-N
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms (+)-Catechin hydrate