| SpectraBase Compound ID | 73qPbxYJELH |
|---|---|
| InChI | InChI=1S/C23H22O9/c1-12(24)29-11-18-20(13-5-7-15(26-2)16(9-13)27-3)32-22-17(28-4)10-14-6-8-19(25)31-21(14)23(22)30-18/h5-10,18,20H,11H2,1-4H3/t18-,20-/m1/s1 |
| InChIKey | UQRCZVRHEJVEMI-UYAOXDASSA-N |
| Mol Weight | 442.42 g/mol |
| Molecular Formula | C23H22O9 |
| Exact Mass | 442.126382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EJEYoHVlkBi |
|---|---|
| Name | Methyl-cleomiscosin A - acetyl-derivative |
| Alternate Name(s) | 6-(3',4-Dimethoxyphenyl)-5-(acetoxymethyl)-1,4-dioxacyclohexano[2,3-h]benzopyran Acetic acid [(2R,3R)-3-(3,4-dimethoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl ester [(2R,3R)-3-(3,4-dimethoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl acetate [(2R,3R)-3-(3,4-dimethoxyphenyl)-5-methoxy-9-oxidanylidene-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H22O9 |
| InChI | InChI=1S/C23H22O9/c1-12(24)29-11-18-20(13-5-7-15(26-2)16(9-13)27-3)32-22-17(28-4)10-14-6-8-19(25)31-21(14)23(22)30-18/h5-10,18,20H,11H2,1-4H3/t18-,20-/m1/s1 |
| InChIKey | UQRCZVRHEJVEMI-UYAOXDASSA-N |
| Molecular Weight | 442.420 g/mol |
| SMILES | c12c(O[C@@]([C@](O2)(COC(=O)C)[H])(c2cc(OC)c(cc2)OC)[H])c(OC)cc2c1OC(=O)C=C2 |
| SPLASH | splash10-002f-3922100000-8aac4fe7a5bb64f3dc56 |
| Source of Spectrum | X2-47-302-4 |
| Wiley ID | 1601359 |