| SpectraBase Compound ID | 3HTXmkAXAnI |
|---|---|
| InChI | InChI=1S/C23H24Br4N4O8/c1-37-17-11(25)7-23(19(34)15(17)27)9-13(31-39-23)21(36)29-5-3-2-4-28-20(35)12-8-22(38-30-12)6-10(24)16(32)14(26)18(22)33/h6-7,14,18-19,33-34H,2-5,8-9H2,1H3,(H,28,35)(H,29,36)/t14-,18+,19+,22-,23-/m1/s1 |
| InChIKey | ONDRQQMSEBCZNC-JFCOBKCCSA-N |
| Mol Weight | 804.08 g/mol |
| Molecular Formula | C23H24Br4N4O8 |
| Exact Mass | 799.832766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTv8fA8NGZm |
|---|---|
| Name | APLYSINONE-D |
| Compound Number | 55 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Br4N4O8 |
| InChI | InChI=1S/C23H24Br4N4O8/c1-37-17-11(25)7-23(19(34)15(17)27)9-13(31-39-23)21(36)29-5-3-2-4-28-20(35)12-8-22(38-30-12)6-10(24)16(32)14(26)18(22)33/h6-7,14,18-19,33-34H,2-5,8-9H2,1H3,(H,28,35)(H,29,36)/t14-,18+,19+,22-,23-/m1/s1 |
| InChIKey | ONDRQQMSEBCZNC-JFCOBKCCSA-N |
| Literature Reference Author | N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO |
| Literature Reference Citation | MAR.DRUGS,9,2316(2011) |
| Literature Reference DOI | 10.3390/md9112316 |
| Molecular Weight | 804.082 g/mol |
| Source File Reference | UWBT6925 |