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(4S,5R,6R,7S)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-5,6-O-METHYLETHYLIDENE-2-(N-BUTYL)-IMINO-1,3-DIAZEPANE
SpectraBase Compound ID LU1mYIyBEXP
InChI InChI=1S/C14H27N3O4/c1-4-5-6-15-13-16-9(7-18)11-12(10(8-19)17-13)21-14(2,3)20-11/h9-12,18-19H,4-8H2,1-3H3,(H2,15,16,17)/t9-,10-,11+,12+/m0/s1
InChIKey GYURNSJBHJBVNK-NNYUYHANSA-N
Mol Weight 301.39 g/mol
Molecular Formula C14H27N3O4
Exact Mass 301.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTeXB393Quk
Name (4S,5R,6R,7S)-5,6-DIHYDROXY-4,7-DIHYDROXYMETHYL-5,6-O-METHYLETHYLIDENE-2-(N-BUTYL)-IMINO-1,3-DIAZEPANE
Compound Number 56
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H27N3O4
InChI InChI=1S/C14H27N3O4/c1-4-5-6-15-13-16-9(7-18)11-12(10(8-19)17-13)21-14(2,3)20-11/h9-12,18-19H,4-8H2,1-3H3,(H2,15,16,17)/t9-,10-,11+,12+/m0/s1
InChIKey GYURNSJBHJBVNK-NNYUYHANSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 301.386 g/mol
Solvent CD3OD
Source File Reference UWVN20127