| SpectraBase Compound ID | CgqI08GHuCy |
|---|---|
| InChI | InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)/t15-,17-,18+,21-,22+/m0/s1 |
| InChIKey | ICXGFKZMXFCHLZ-CNFPBCLWSA-N |
| Mol Weight | 542.46 g/mol |
| Molecular Formula | C22H22O14S |
| Exact Mass | 542.073027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoTMeaDlk5E |
|---|---|
| Name | ISOSCUTELLAREIN-4'-METHYLETHER-8-O-BETA-D-GLUCOSIDE-2''-SULFATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O14S |
| InChI | InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)/t15-,17-,18+,21-,22+/m0/s1 |
| InChIKey | ICXGFKZMXFCHLZ-CNFPBCLWSA-N |
| Literature Reference Author | J.GUDEJ |
| Literature Reference Citation | PLANTA.MED.,57,284(1991) |
| Literature Reference DOI | 10.1055/s-2006-960092 |
| Molecular Weight | 542.468 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP148 |