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2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraene-5,8-dione
SpectraBase Compound ID HBs9sjT7oi5
InChI InChI=1S/C31H40N4O4/c1-20(2)17-25-29(36)32-16-15-22-11-13-24(14-12-22)39-28(23-9-7-6-8-10-23)27(30(37)33-25)35-19-34(5)26(31(35)38)18-21(3)4/h6-16,20-21,25-28H,17-19H2,1-5H3,(H,32,36)(H,33,37)/b16-15-
InChIKey LSNVCEALYLPYRJ-NXVVXOECSA-N
Mol Weight 532.7 g/mol
Molecular Formula C31H40N4O4
Exact Mass 532.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo8Jrqwqay5
Name 2-Oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraene-5,8-dione
Alternate Name(s) 7-isobutyl-4-(4-isobutyl-3-methyl-5-oxo-1-imidazolidinyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-5,8-dione Nummularin G Nummularine-G
CAS Registry Number 64309-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N4O4
InChI InChI=1S/C31H40N4O4/c1-20(2)17-25-29(36)32-16-15-22-11-13-24(14-12-22)39-28(23-9-7-6-8-10-23)27(30(37)33-25)35-19-34(5)26(31(35)38)18-21(3)4/h6-16,20-21,25-28H,17-19H2,1-5H3,(H,32,36)(H,33,37)/b16-15-
InChIKey LSNVCEALYLPYRJ-NXVVXOECSA-N
Molecular Weight 532.685 g/mol
SMILES N1C(C(N\C=C/c2ccc(OC(C(N3C(C(CC(C)C)N(C3)C)=O)C1=O)c1ccccc1)cc2)=O)CC(C)C
SPLASH splash10-0570-3932110000-1d30cfc46a4518024eff
Source of Spectrum K-110-2651-1
Wiley ID 1403628