| SpectraBase Compound ID | 45sdthQuhvR |
|---|---|
| InChI | InChI=1S/C37H53Br4N3O8/c1-4-24(2)15-12-10-8-6-5-7-9-11-13-16-31(46)43-22-30(45)25-19-26(38)34(27(39)20-25)50-18-14-17-42-36(48)32-35(47)37(52-44-32)21-28(40)33(49-3)29(41)23-51-37/h19-20,23-24,30,35,45,47H,4-18,21-22H2,1-3H3,(H,42,48)(H,43,46)/t24?,30?,35-,37+/m0/s1 |
| InChIKey | QUAZOOZYTAVHIZ-VJBZDXAJSA-N |
| Mol Weight | 987.5 g/mol |
| Molecular Formula | C37H53Br4N3O8 |
| Exact Mass | 983.056618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdS8pmkbtJz |
|---|---|
| Name | PSAMMAPLYSIN_R |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H53Br4N3O8 |
| InChI | InChI=1S/C37H53Br4N3O8/c1-4-24(2)15-12-10-8-6-5-7-9-11-13-16-31(46)43-22-30(45)25-19-26(38)34(27(39)20-25)50-18-14-17-42-36(48)32-35(47)37(52-44-32)21-28(40)33(49-3)29(41)23-51-37/h19-20,23-24,30,35,45,47H,4-18,21-22H2,1-3H3,(H,42,48)(H,43,46)/t24?,30?,35-,37+/m0/s1 |
| InChIKey | QUAZOOZYTAVHIZ-VJBZDXAJSA-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 | 987.459 g/mol |
| Sample ID | 41724 |
| Solvent | CDCl3 |