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CAISSARINE-B
SpectraBase Compound ID 8kl8p6mPyZL
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-/m10/s1
InChIKey HVAAKETUMOXFKS-QJXXHLCYSA-N
Mol Weight 1752.4 g/mol
Molecular Formula C54H64Br8N8O18
Exact Mass 1743.780561 g/mol
Enantiomer InChIKey HVAAKETUMOXFKS-CABGKCLDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Two Unprecedented Dibromotyrosine-Derived Alkaloids from the Brazilian Endemic Marine Sponge Aplysina caissara Journal of Natural Products 2002

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