| SpectraBase Compound ID | ClXfkkDlSM4 |
|---|---|
| InChI | InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1 |
| InChIKey | QVZZDKDFWLWKPS-BZERRRCQSA-N |
| Mol Weight | 596.63 g/mol |
| Molecular Formula | C28H24N2O9S2 |
| Exact Mass | 596.092323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QTa5uOLtys |
|---|---|
| Name | MPC1001C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24N2O9S2 |
| InChI | InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1 |
| InChIKey | QVZZDKDFWLWKPS-BZERRRCQSA-N |
| Literature Reference Author | H.ONODERA,A.HASEGAWA,N.TSUMAGARI,R.NAKAI,T.OGAWA,Y.KANDA |
| Literature Reference Citation | ORG.LETTERS,6,4101(2004) |
| Literature Reference DOI | 10.1021/ol048202d |
| Molecular Weight | 596.627 g/mol |
| Sample ID | 39103 |
| Solvent | CDCl3 |