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AGELASINE_J

View entire compound with spectra: 2 NMR

AGELASINE_J
SpectraBase Compound ID 4adFysnDuwx
InChI InChI=1S/C26H40N5.ClH/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4;/h12,16-17,19H,7-11,13-15H2,1-6H3,(H2,27,28,29);1H/q+1;/p-1/b18-12+;/t19-,26+;/m1./s1
InChIKey BHVKDCNXMWGWEZ-FJQMCSPPSA-M
Mol Weight 458.1 g/mol
Molecular Formula C26H40ClN5
Exact Mass 457.297224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ifDTBH5pih
Name AGELASINE_J
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40ClN5
InChI InChI=1S/C26H40N5.ClH/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4;/h12,16-17,19H,7-11,13-15H2,1-6H3,(H2,27,28,29);1H/q+1;/p-1/b18-12+;/t19-,26+;/m1./s1
InChIKey BHVKDCNXMWGWEZ-FJQMCSPPSA-M
Literature Reference Author J.APPENZELLER,G.MIHCI,M.T.MARTIN,J.F.GALLARD,J.L.MENOU,N.BOU RY-ESNAULT,J.HOOPER,
Literature Reference Citation J.NAT.PROD.,71,1451(2008)
Literature Reference DOI 10.1021/np800212g
Molecular Weight 458.090 g/mol
Sample ID 28516
Solvent CD3OD