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[4S,6R,6(1S)]-N-Benzyl-6-[1-(benzyloxy)pentyl]-4-(4-oxopentyl)-3,4,5,6-tetrahydro-1,3-oxazin-2-one
SpectraBase Compound ID DZH2b6f5lHX
InChI InChI=1S/C28H37NO4/c1-3-4-18-26(32-21-24-15-9-6-10-16-24)27-19-25(17-11-12-22(2)30)29(28(31)33-27)20-23-13-7-5-8-14-23/h5-10,13-16,25-27H,3-4,11-12,17-21H2,1-2H3/t25-,26-,27+/m0/s1
InChIKey GKPGEZUBTGCBLZ-GMQQYTKMSA-N
Mol Weight 451.6 g/mol
Molecular Formula C28H37NO4
Exact Mass 451.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58QYwZpRDr3
Name [4S,6R,6(1S)]-N-Benzyl-6-[1-(benzyloxy)pentyl]-4-(4-oxopentyl)-3,4,5,6-tetrahydro-1,3-oxazin-2-one
Alternate Name(s) (4S,6R)-3-benzyl-6-[1-(benzyloxy)pentyl]-4-(4-oxopentyl)tetrahydro-2H-1,3-oxazin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO4
InChI InChI=1S/C28H37NO4/c1-3-4-18-26(32-21-24-15-9-6-10-16-24)27-19-25(17-11-12-22(2)30)29(28(31)33-27)20-23-13-7-5-8-14-23/h5-10,13-16,25-27H,3-4,11-12,17-21H2,1-2H3/t25-,26-,27+/m0/s1
InChIKey GKPGEZUBTGCBLZ-GMQQYTKMSA-N
Molecular Weight 451.607 g/mol
SMILES C1(N([C@@](CCCC(=O)C)(C[C@@](O1)([C@@](OCc1ccccc1)(CCCC)[H])[H])[H])Cc1ccccc1)=O
SPLASH splash10-0udi-0190000000-f85be899f92fbb96b8a0
Source of Spectrum F-47-9343-18
Wiley ID 1388014