| SpectraBase Compound ID | 3Rm4hLfN0za |
|---|---|
| InChI | InChI=1S/C35H49Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-15-29(44)41-21-28(43)23-18-24(36)32(25(37)19-23)48-17-14-16-40-34(46)30-33(45)35(50-42-30)20-26(38)31(47-2)27(39)22-49-35/h18-19,22,28,33,43,45H,3-17,20-21H2,1-2H3,(H,40,46)(H,41,44)/t28?,33-,35+/m0/s1 |
| InChIKey | LXDNIHBIOYFCLM-FDCDBXOXSA-N |
| Mol Weight | 959.4 g/mol |
| Molecular Formula | C35H49Br4N3O8 |
| Exact Mass | 955.025318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Ag1en1Cn3a |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_Q |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49Br4N3O8 |
| InChI | InChI=1S/C35H49Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-15-29(44)41-21-28(43)23-18-24(36)32(25(37)19-23)48-17-14-16-40-34(46)30-33(45)35(50-42-30)20-26(38)31(47-2)27(39)22-49-35/h18-19,22,28,33,43,45H,3-17,20-21H2,1-2H3,(H,40,46)(H,41,44)/t28?,33-,35+/m0/s1 |
| InChIKey | LXDNIHBIOYFCLM-FDCDBXOXSA-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 | 959.405 g/mol |
| Sample ID | 41723 |
| Solvent | CDCl3 |