| SpectraBase Compound ID | CeGEQsct7hd |
|---|---|
| InChI | InChI=1S/C38H53Br4N3O7/c1-26(2)16-13-11-9-7-5-4-6-8-10-12-14-17-32(46)43-20-18-27-22-28(39)35(29(40)23-27)50-21-15-19-44-37(48)33-36(47)38(52-45-33)24-30(41)34(49-3)31(42)25-51-38/h7,9,22-23,25-26,36,47H,4-6,8,10-21,24H2,1-3H3,(H,43,46)(H,44,48)/b9-7-/t36-,38+/m0/s1 |
| InChIKey | ZBFROWOJGHRFNP-OCFZDPAXSA-N |
| Mol Weight | 983.5 g/mol |
| Molecular Formula | C38H53Br4N3O7 |
| Exact Mass | 979.061703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gORGbWMZwV |
|---|---|
| Name | PSAMMAPLYSIN_U |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H53Br4N3O7 |
| InChI | InChI=1S/C38H53Br4N3O7/c1-26(2)16-13-11-9-7-5-4-6-8-10-12-14-17-32(46)43-20-18-27-22-28(39)35(29(40)23-27)50-21-15-19-44-37(48)33-36(47)38(52-45-33)24-30(41)34(49-3)31(42)25-51-38/h7,9,22-23,25-26,36,47H,4-6,8,10-21,24H2,1-3H3,(H,43,46)(H,44,48)/b9-7-/t36-,38+/m0/s1 |
| InChIKey | ZBFROWOJGHRFNP-OCFZDPAXSA-N |
| Literature Reference Author | I.W.MUDIANTA,T.SKINNER-ADAMS,K.T.ANDREWS,R.A.DAVIS,T.A.HADI, P.Y.HAYES,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,75,2132(2012) |
| Literature Reference DOI | 10.1021/np300560b |
| Molecular Weight | 983.471 g/mol |
| Sample ID | 41729 |
| Solvent | CDCl3 |