| SpectraBase Compound ID | 3xKbxv0zYaQ |
|---|---|
| InChI | InChI=1S/C23H24Br4N4O8/c24-10-6-22(18(34)14(26)16(10)32)8-12(30-38-22)20(36)28-4-2-1-3-5-29-21(37)13-9-23(39-31-13)7-11(25)17(33)15(27)19(23)35/h6-7,14-15,18-19,34-35H,1-5,8-9H2,(H,28,36)(H,29,37)/t14-,15-,18+,19+,22-,23-/m1/s1 |
| InChIKey | XZZXVTRWUWMFQH-IXJQUZSASA-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 | 2si3ABX8TU3 |
|---|---|
| Name | APLYSINONE-B |
| Compound Number | 56 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Br4N4O8 |
| InChI | InChI=1S/C23H24Br4N4O8/c24-10-6-22(18(34)14(26)16(10)32)8-12(30-38-22)20(36)28-4-2-1-3-5-29-21(37)13-9-23(39-31-13)7-11(25)17(33)15(27)19(23)35/h6-7,14-15,18-19,34-35H,1-5,8-9H2,(H,28,36)(H,29,37)/t14-,15-,18+,19+,22-,23-/m1/s1 |
| InChIKey | XZZXVTRWUWMFQH-IXJQUZSASA-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 | UWBT6926 |