| SpectraBase Compound ID | 7KXAdj03zEZ |
|---|---|
| InChI | InChI=1S/C21H23Br4N3O7/c1-32-17-13(24)7-21(34-9-14(17)25)19(30)16(28-35-21)20(31)27-3-2-4-33-18-11(22)5-10(6-12(18)23)15(29)8-26/h5-6,9,15,19,29-30H,2-4,7-8,26H2,1H3,(H,27,31)/t15?,19-,21-/m1/s1 |
| InChIKey | REZAYKBREJXSAG-AIEAQGLASA-N |
| Mol Weight | 749.04 g/mol |
| Molecular Formula | C21H23Br4N3O7 |
| Exact Mass | 744.826952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESBWlYdQE85 |
|---|---|
| Name | PSAMMAPLYSIN-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H23Br4N3O7 |
| InChI | InChI=1S/C21H23Br4N3O7/c1-32-17-13(24)7-21(34-9-14(17)25)19(30)16(28-35-21)20(31)27-3-2-4-33-18-11(22)5-10(6-12(18)23)15(29)8-26/h5-6,9,15,19,29-30H,2-4,7-8,26H2,1H3,(H,27,31)/t15?,19-,21-/m1/s1 |
| InChIKey | REZAYKBREJXSAG-AIEAQGLASA-N |
| Literature Reference Author | T.ICHIBA,P.J.SCHEUER,M.KELLY-BORGES |
| Literature Reference Citation | J.ORG.CHEM.,58,4149(1993) |
| Literature Reference DOI | 10.1021/jo00067a062 |
| Molecular Weight | 749.046 g/mol |
| Solvent | METHANOL-D4 |
| Source File Reference | UWGE2059 |