| SpectraBase Compound ID | 4hUGlkIiH4P |
|---|---|
| InChI | InChI=1S/C27H25Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h3-4,9-10,12-13,25,32,37H,2,5-8,11H2,1H3,(H,33,38)/t25-,27-/m1/s1 |
| InChIKey | JGFXDUSJSHIVCW-XNMGPUDCSA-N |
| Mol Weight | 839.13 g/mol |
| Molecular Formula | C27H25Br4N3O8 |
| Exact Mass | 834.837517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HC8N85kZFPv |
|---|---|
| Name | PSAMMAPLYSIN-E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H25Br4N3O8 |
| InChI | InChI=1S/C27H25Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h3-4,9-10,12-13,25,32,37H,2,5-8,11H2,1H3,(H,33,38)/t25-,27-/m1/s1 |
| InChIKey | JGFXDUSJSHIVCW-XNMGPUDCSA-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 | 839.127 g/mol |
| Solvent | METHANOL-D4 |
| Source File Reference | UWGE2061 |