| SpectraBase Compound ID | LetzAl3uyxC |
|---|---|
| InChI | InChI=1S/C21H24Br3N3O6/c1-30-18-14(23)10-21(32-11-15(18)24)19(28)17(27-33-21)20(29)26-7-2-8-31-16-4-3-12(5-6-25)9-13(16)22/h3-4,9,11,19,28H,2,5-8,10,25H2,1H3,(H,26,29)/t19-,21-/m0/s1 |
| InChIKey | QORPEZJCTMWCLO-FPOVZHCZSA-N |
| Mol Weight | 654.15 g/mol |
| Molecular Formula | C21H24Br3N3O6 |
| Exact Mass | 650.921524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdMltZLjHr5 |
|---|---|
| Name | PSAMMAPLYSIN_I |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24Br3N3O6 |
| InChI | InChI=1S/C21H24Br3N3O6/c1-30-18-14(23)10-21(32-11-15(18)24)19(28)17(27-33-21)20(29)26-7-2-8-31-16-4-3-12(5-6-25)9-13(16)22/h3-4,9,11,19,28H,2,5-8,10,25H2,1H3,(H,26,29)/t19-,21-/m0/s1 |
| InChIKey | QORPEZJCTMWCLO-FPOVZHCZSA-N |
| Literature Reference Author | A.D.WRIGHT,P.J.SCHUPP,J.P.SCHROER,A.ENGEMANN,S.ROHDE,D.KELMA N,N.DEVOOGD,A.CARROL |
| Literature Reference Citation | J.NAT.PROD.,75,502(2012) |
| Literature Reference DOI | 10.1021/np200939d |
| Molecular Weight | 654.150 g/mol |
| Sample ID | 40214 |
| Solvent | CD3OD |