| SpectraBase Compound ID | JirCdhvVrwk |
|---|---|
| InChI | InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+ |
| InChIKey | LMAFSGDNHVBIHU-XUIWWLCJSA-N |
| Mol Weight | 664.38 g/mol |
| Molecular Formula | C22H24Br2N4O6S2 |
| Exact Mass | 661.950403 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNjgoRU8ztI |
|---|---|
| Name | Psammaplin A |
| Comments | 75 MHz spectrum |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H24Br2N4O6S2 |
| InChI | InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+ |
| InChIKey | LMAFSGDNHVBIHU-XUIWWLCJSA-N |
| Instrument Name | see comment |
| Literature Reference | C. Jimenez, P. Crews, Tetrahedron 47, 2097 (1991). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3CN |