| SpectraBase Compound ID | 7kbDtYyr24O |
|---|---|
| InChI | InChI=1S/C21H24Br3N3O7/c1-31-18-13(23)8-21(33-10-14(18)24)19(29)17(27-34-21)20(30)26-5-2-6-32-16-4-3-11(7-12(16)22)15(28)9-25/h3-4,7,10,15,19,28-29H,2,5-6,8-9,25H2,1H3,(H,26,30)/t15?,19-,21-/m0/s1 |
| InChIKey | SYPWHFUPHIMWPO-XHRKEWCOSA-N |
| Mol Weight | 670.15 g/mol |
| Molecular Formula | C21H24Br3N3O7 |
| Exact Mass | 666.916439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7oblp5j03m |
|---|---|
| Name | PSAMMAPLYSIN_J |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24Br3N3O7 |
| InChI | InChI=1S/C21H24Br3N3O7/c1-31-18-13(23)8-21(33-10-14(18)24)19(29)17(27-34-21)20(30)26-5-2-6-32-16-4-3-11(7-12(16)22)15(28)9-25/h3-4,7,10,15,19,28-29H,2,5-6,8-9,25H2,1H3,(H,26,30)/t15?,19-,21-/m0/s1 |
| InChIKey | SYPWHFUPHIMWPO-XHRKEWCOSA-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 | 670.149 g/mol |
| Sample ID | 40215 |
| Solvent | CD3OD |