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JASPAMIDE-B
SpectraBase Compound ID 51DnOs8Umqe
InChI InChI=1S/C36H43BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,39,42H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22-,23+,29-,30-/m1/s1
InChIKey ZPXZSAWIJKVCLD-VBLYNVHQSA-N
Mol Weight 723.7 g/mol
Molecular Formula C36H43BrN4O7
Exact Mass 722.231513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jswBRRjoKs
Name JASPAMIDE-B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H43BrN4O7
InChI InChI=1S/C36H43BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,39,42H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22-,23+,29-,30-/m1/s1
InChIKey ZPXZSAWIJKVCLD-VBLYNVHQSA-N
Literature Reference Author A.ZAMPELLA,C.GIANNINI,C.DEBITUS,C.ROUSSAKIS,M.V.D'AURIA
Literature Reference Citation J.NAT.PROD.,62,332(1999)
Literature Reference DOI 10.1021/np9803225
Molecular Weight 723.664 g/mol
Solvent CDCl3
Source File Reference UWCP6193