| SpectraBase Compound ID | IY7fTUeS57a |
|---|---|
| InChI | InChI=1S/C21H23Br4N3O8S.Na/c1-34-18-14(24)9-21(19(29)16(18)25)10-15(28-36-21)20(30)26-4-2-6-35-17-12(22)7-11(8-13(17)23)3-5-27-37(31,32)33;/h7-9,19,27,29H,2-6,10H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/t19-,21+;/m0./s1 |
| InChIKey | SWDXEYXTKXVRKS-LZAGWAHOSA-M |
| Mol Weight | 819.09 g/mol |
| Molecular Formula | C21H22Br4N3NaO8S |
| Exact Mass | 814.775882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HW2IEGaPO8s |
|---|---|
| Name | ARAPLYSILLIN_N(9)-SULFAMATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22Br4N3NaO8S |
| InChI | InChI=1S/C21H23Br4N3O8S.Na/c1-34-18-14(24)9-21(19(29)16(18)25)10-15(28-36-21)20(30)26-4-2-6-35-17-12(22)7-11(8-13(17)23)3-5-27-37(31,32)33;/h7-9,19,27,29H,2-6,10H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/t19-,21+;/m0./s1 |
| InChIKey | SWDXEYXTKXVRKS-LZAGWAHOSA-M |
| Literature Reference Author | E.W.ROGERS,T.F.MOLINSKI |
| Literature Reference Citation | J.NAT.PROD.,70,1191(2007) |
| Literature Reference DOI | 10.1021/np070109l |
| Molecular Weight | 819.087 g/mol |
| Sample ID | 30708 |
| Solvent | CD3OD:CDCl3=1:19 |