| SpectraBase Compound ID | 5QQesPezHw1 |
|---|---|
| InChI | InChI=1S/C27H25Br4N3O9/c1-40-23-17(30)9-27(42-12-18(23)31)25(38)22(34-43-27)26(39)33-5-2-6-41-24-15(28)7-13(8-16(24)29)21(37)11-32-10-14-19(35)3-4-20(14)36/h3-4,7-8,10,12,21,25,32,37-38H,2,5-6,9,11H2,1H3,(H,33,39)/t21?,25-,27+/m0/s1 |
| InChIKey | ALQMQVUOKZVSGT-DCRAVRKTSA-N |
| Mol Weight | 855.12 g/mol |
| Molecular Formula | C27H25Br4N3O9 |
| Exact Mass | 850.832431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jsLPBxt0bp |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_E |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H25Br4N3O9 |
| InChI | InChI=1S/C27H25Br4N3O9/c1-40-23-17(30)9-27(42-12-18(23)31)25(38)22(34-43-27)26(39)33-5-2-6-41-24-15(28)7-13(8-16(24)29)21(37)11-32-10-14-19(35)3-4-20(14)36/h3-4,7-8,10,12,21,25,32,37-38H,2,5-6,9,11H2,1H3,(H,33,39)/t21?,25-,27+/m0/s1 |
| InChIKey | ALQMQVUOKZVSGT-DCRAVRKTSA-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 | 855.126 g/mol |
| Sample ID | 41714 |
| Solvent | CD3OD |