| SpectraBase Compound ID | 3JnMLsscfas |
|---|---|
| InChI | InChI=1S/C22H25Br4N3O5/c1-27-5-3-7-33-12-8-14(23)13(15(24)9-12)4-6-28-21(31)17-11-22(34-29-17)10-16(25)19(32-2)18(26)20(22)30/h8-10,20,27,30H,3-7,11H2,1-2H3,(H,28,31)/t20-,22+/m0/s1 |
| InChIKey | MCJBTHQUQKFFBA-RBBKRZOGSA-N |
| Mol Weight | 731.07 g/mol |
| Molecular Formula | C22H25Br4N3O5 |
| Exact Mass | 726.852773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PGIdZfmuOj |
|---|---|
| Name | PUREALIDIN-S |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25Br4N3O5 |
| InChI | InChI=1S/C22H25Br4N3O5/c1-27-5-3-7-33-12-8-14(23)13(15(24)9-12)4-6-28-21(31)17-11-22(34-29-17)10-16(25)19(32-2)18(26)20(22)30/h8-10,20,27,30H,3-7,11H2,1-2H3,(H,28,31)/t20-,22+/m0/s1 |
| InChIKey | MCJBTHQUQKFFBA-RBBKRZOGSA-N |
| Literature Reference Author | J.N.TABUDRAVU,M.JASPARS |
| Literature Reference Citation | J.NAT.PROD.,65,1798(2002) |
| Literature Reference DOI | 10.1021/np020275n |
| Molecular Weight | 731.074 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI16424 |