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(2S,4R)-4,5,6,7-Tetramethoxyflavan
SpectraBase Compound ID GBIBYnUGZos
InChI InChI=1S/C19H22O5/c1-20-14-10-13(12-8-6-5-7-9-12)24-15-11-16(21-2)18(22-3)19(23-4)17(14)15/h5-9,11,13-14H,10H2,1-4H3/t13-,14+/m0/s1
InChIKey IMKNBXLCVBCZGQ-UONOGXRCSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G95B9oTqt2J
Name (2S,4R)-4,5,6,7-Tetramethoxyflavan
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-20-14-10-13(12-8-6-5-7-9-12)24-15-11-16(21-2)18(22-3)19(23-4)17(14)15/h5-9,11,13-14H,10H2,1-4H3/t13-,14+/m0/s1
InChIKey IMKNBXLCVBCZGQ-UONOGXRCSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np900341f
Molecular Weight 330.380 g/mol
Optical Rotation [a]D20 = +16 (c = 0.9, CDCl3)
Reported Formula C19H22O5
SMILES c1(cc2c(c(c1OC)OC)[C@@](C[C@](O2)(c1ccccc1)[H])(OC)[H])OC
SPLASH splash10-000t-0090000000-4948e8a5ffedcb23eb9b
Source of Spectrum G4-72-2133-2
Wiley ID 1872110