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(2R,3S)-trans-5,7,4'-Trimethoxy-3-O-acetylflavan

View entire compound with spectra: 1 MS (GC)

(2R,3S)-trans-5,7,4'-Trimethoxy-3-O-acetylflavan
SpectraBase Compound ID L8Irrknutjx
InChI InChI=1S/C20H22O6/c1-12(21)25-19-11-16-17(24-4)9-15(23-3)10-18(16)26-20(19)13-5-7-14(22-2)8-6-13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m0/s1
InChIKey BLJHIQAQSCDZKJ-VQTJNVASSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5uSCcWOU17
Name (2R,3S)-trans-5,7,4'-Trimethoxy-3-O-acetylflavan
Alternate Name(s) Acetic acid [(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester [(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate [(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)chroman-3-yl] acetate [(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-12(21)25-19-11-16-17(24-4)9-15(23-3)10-18(16)26-20(19)13-5-7-14(22-2)8-6-13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m0/s1
InChIKey BLJHIQAQSCDZKJ-VQTJNVASSA-N
Molecular Weight 358.390 g/mol
SMILES c12O[C@@]([C@](Cc2c(OC)cc(c1)OC)(OC(=O)C)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-0f6t-0961000000-91da833ca2d5c508002b
Source of Spectrum KC-0-3420-24
Wiley ID 823933