| SpectraBase Compound ID | F4jZ9QYESiA |
|---|---|
| InChI | InChI=1S/C23H26Br4N4O7/c1-31(22(28)34)6-4-12-8-13(24)19(14(25)9-12)36-7-3-5-29-21(33)17-20(32)23(38-30-17)10-15(26)18(35-2)16(27)11-37-23/h8-9,11,20,32H,3-7,10H2,1-2H3,(H2,28,34)(H,29,33)/t20-,23-/m0/s1 |
| InChIKey | ZGTHFHOXKBZWNC-REWPJTCUSA-N |
| Mol Weight | 790.1 g/mol |
| Molecular Formula | C23H26Br4N4O7 |
| Exact Mass | 785.853501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ymdcTmFSk2 |
|---|---|
| Name | PSAMMAPLYSIN_G |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H26Br4N4O7 |
| InChI | InChI=1S/C23H26Br4N4O7/c1-31(22(28)34)6-4-12-8-13(24)19(14(25)9-12)36-7-3-5-29-21(33)17-20(32)23(38-30-17)10-15(26)18(35-2)16(27)11-37-23/h8-9,11,20,32H,3-7,10H2,1-2H3,(H2,28,34)(H,29,33)/t20-,23-/m0/s1 |
| InChIKey | ZGTHFHOXKBZWNC-REWPJTCUSA-N |
| Literature Reference Author | X.YANG,R.A.DAVIS,M.S.BUCHANAN,S.DUFFY,V.M.AVERY,D.CAMP,R.J.Q UINN |
| Literature Reference Citation | J.NAT.PROD.,73,985(2010) |
| Literature Reference DOI | 10.1021/np900834g |
| Molecular Weight | 790.098 g/mol |
| Sample ID | 35601 |
| Solvent | DMSO-D6 |