| SpectraBase Compound ID | Dp4wKpCiZL7 |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-12(21)25-19-9-13-5-7-15(22-2)11-17(13)26-20(19)14-6-8-16(23-3)18(10-14)24-4/h5-8,10-11,19-20H,9H2,1-4H3/t19-,20+/m0/s1 |
| InChIKey | JNHNULLTFNKCJB-VQTJNVASSA-N |
| Mol Weight | 358.39 g/mol |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9mI0aWHqkUt |
|---|---|
| Name | (2R,3S)-trans-7,3',4'-Trimethoxy-3-O-acetylflavan |
| Alternate Name(s) | Acetic acid[(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ester Acetic acid[(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-3-yl]ester [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]acetate [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanoate [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-3-yl]acetate Acetic acid [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl] acetate [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-3-yl] acetate [(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-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)25-19-9-13-5-7-15(22-2)11-17(13)26-20(19)14-6-8-16(23-3)18(10-14)24-4/h5-8,10-11,19-20H,9H2,1-4H3/t19-,20+/m0/s1 |
| InChIKey | JNHNULLTFNKCJB-VQTJNVASSA-N |
| Molecular Weight | 358.390 g/mol |
| SMILES | [C@]1(Oc2c(C[C@@]1(OC(=O)C)[H])ccc(c2)OC)(c1cc(OC)c(cc1)OC)[H] |
| SPLASH | splash10-000t-0891000000-a7c1bcf6cb1d1c064978 |
| Source of Spectrum | KC-0-3420-23 |
| Wiley ID | 823935 |