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(2S,3S)-cis-7,4'-Dimethoxy-3-O-acetylflavan

View entire compound with spectra: 1 MS (GC)

(2S,3S)-cis-7,4'-Dimethoxy-3-O-acetylflavan
SpectraBase Compound ID KWDXb7fhiGp
InChI InChI=1S/C19H20O5/c1-12(20)23-18-10-14-6-9-16(22-3)11-17(14)24-19(18)13-4-7-15(21-2)8-5-13/h4-9,11,18-19H,10H2,1-3H3/t18-,19-/m0/s1
InChIKey SBQBQPPOMJFILL-OALUTQOASA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BImXR2J95v6
Name (2S,3S)-cis-7,4'-Dimethoxy-3-O-acetylflavan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-12(20)23-18-10-14-6-9-16(22-3)11-17(14)24-19(18)13-4-7-15(21-2)8-5-13/h4-9,11,18-19H,10H2,1-3H3/t18-,19-/m0/s1
InChIKey SBQBQPPOMJFILL-OALUTQOASA-N
Molecular Weight 328.364 g/mol
SMILES [C@@]1(Oc2c(C[C@@]1(OC(=O)C)[H])ccc(c2)OC)(c1ccc(cc1)OC)[H]
SPLASH splash10-0gi0-0960000000-27d7aafe518e8b66687b
Source of Spectrum KC-0-3420-27
Synonyms Acetic acid [(2S,3S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester [(2S,3S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate [(2S,3S)-7-methoxy-2-(4-methoxyphenyl)chroman-3-yl] acetate [(2S,3S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] ethanoate
Wiley ID 823936