| SpectraBase Compound ID | 6nqfvecIYAv |
|---|---|
| InChI | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1 |
| InChIKey | UWWYWUMDYAWTKK-YITDFDIYSA-N |
| Mol Weight | 598.6 g/mol |
| Molecular Formula | C27H22N2O10S2 |
| Exact Mass | 598.071587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzS2DwIk8mH |
|---|---|
| Name | EMESTRIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H22N2O10S2 |
| InChI | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1 |
| InChIKey | UWWYWUMDYAWTKK-YITDFDIYSA-N |
| Literature Reference Author | M.OOIKE,K.NOZAWA,K.I.KAWAI |
| Literature Reference Citation | PHYTOCHEM.,46,123(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00210-0 |
| Molecular Weight | 598.599 g/mol |
| Sample ID | 44805 |
| Solvent | DMSO-D6 |