| SpectraBase Compound ID | 3ocwkOBE5Tv |
|---|---|
| InChI | InChI=1S/C21H18O18S2/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)15(16(13)35-12)36-21-18(39-41(32,33)34)14(26)17(38-40(29,30)31)19(37-21)20(27)28/h1-6,14,17-19,21-23,25-26H,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t14-,17-,18+,19-,21+/m0/s1 |
| InChIKey | QOKHDJUJQRSHRZ-SZCFVHRKSA-L |
| Mol Weight | 620.46 g/mol |
| Molecular Formula | C21H16O18S2 |
| Exact Mass | 619.977806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTNqTTnyFXM |
|---|---|
| Name | ISOSCUTELLAREIN-8-O-BETA-D-GLUCURONIDE-2'',4''-DISULFATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H16O18S2 |
| InChI | InChI=1S/C21H18O18S2/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)15(16(13)35-12)36-21-18(39-41(32,33)34)14(26)17(38-40(29,30)31)19(37-21)20(27)28/h1-6,14,17-19,21-23,25-26H,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t14-,17-,18+,19-,21+/m0/s1 |
| InChIKey | QOKHDJUJQRSHRZ-SZCFVHRKSA-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 | 620.467 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2193 |