| SpectraBase Compound ID | 2RH4UhJPh4x |
|---|---|
| InChI | InChI=1S/C22H25Br4N3O6/c1-27-6-4-12-8-13(23)19(14(24)9-12)33-7-3-5-28-21(31)17-20(30)22(35-29-17)10-15(25)18(32-2)16(26)11-34-22/h8-9,11,20,27,30H,3-7,10H2,1-2H3,(H,28,31)/t20-,22-/m1/s1 |
| InChIKey | JDWAYQNNUFSWIW-IFMALSPDSA-N |
| Mol Weight | 747.07 g/mol |
| Molecular Formula | C22H25Br4N3O6 |
| Exact Mass | 742.847688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uAXwd2bHBI |
|---|---|
| Name | PSAMMAPLYSIN-F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25Br4N3O6 |
| InChI | InChI=1S/C22H25Br4N3O6/c1-27-6-4-12-8-13(23)19(14(24)9-12)33-7-3-5-28-21(31)17-20(30)22(35-29-17)10-15(25)18(32-2)16(26)11-34-22/h8-9,11,20,27,30H,3-7,10H2,1-2H3,(H,28,31)/t20-,22-/m1/s1 |
| InChIKey | JDWAYQNNUFSWIW-IFMALSPDSA-N |
| Literature Reference Author | S.LIU,X.FU,F.J.SCHMITZ,M.KELLY-BORGES |
| Literature Reference Citation | J.NAT.PROD.,60,614(1997) |
| Literature Reference DOI | 10.1021/np970070s |
| Molecular Weight | 747.073 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS148 |