| SpectraBase Compound ID | F19DqngxeyS |
|---|---|
| InChI | InChI=1S/C22H20O18S2/c1-35-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)16(17(14)36-13)37-22-19(40-42(32,33)34)15(26)18(39-41(29,30)31)20(38-22)21(27)28/h2-7,15,18-20,22-23,25-26H,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t15-,18-,19+,20-,22+/m1/s1 |
| InChIKey | MANWEJPUTNQLGH-PGPONNFDSA-L |
| Mol Weight | 634.49 g/mol |
| Molecular Formula | C22H18O18S2 |
| Exact Mass | 633.993456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IudrKpiXcoo |
|---|---|
| Name | ISOSCUTELLAREIN-4'-METHYLETHER-8-O-BETA-D-GLUCURONIDE-2'',4''-DISULFATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H18O18S2 |
| InChI | InChI=1S/C22H20O18S2/c1-35-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)16(17(14)36-13)37-22-19(40-42(32,33)34)15(26)18(39-41(29,30)31)20(38-22)21(27)28/h2-7,15,18-20,22-23,25-26H,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t15-,18-,19+,20-,22+/m1/s1 |
| InChIKey | MANWEJPUTNQLGH-PGPONNFDSA-L |
| Literature Reference Author | K.KAMIYA,Y.SAIKI,T.HAMA,Y.FUJIMOTO,H.ENDANG,M.UMAR,T.SATAKE |
| Literature Reference Citation | PHYTOCHEM.,57,297(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00005-X |
| Molecular Weight | 634.494 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2192 |