| SpectraBase Compound ID | JooczbwzoyR |
|---|---|
| InChI | InChI=1S/2C27H32Br4N4O9/c2*1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h2*8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)/t2*13?,22-,23+,26+,27-/m00/s1 |
| InChIKey | HVAAKETUMOXFKS-PVDZUAIRSA-N |
| Mol Weight | 1752.4 g/mol |
| Molecular Formula | C54H64Br8N8O18 |
| Exact Mass | 1743.780561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEHgd98lNVi |
|---|---|
| Name | CAISSARINE-B |
| Compound Number | 53 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H64Br8N8O18 |
| InChI | InChI=1S/2C27H32Br4N4O9/c2*1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h2*8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)/t2*13?,22-,23+,26+,27-/m00/s1 |
| InChIKey | HVAAKETUMOXFKS-PVDZUAIRSA-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 | 1752.377 g/mol |
| Source File Reference | UWBT6923 |