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Nummularine -D
SpectraBase Compound ID Jm96ZsuP8qc
InChI InChI=1S/C30H40N4O4/c1-6-20(4)25(31-5)29(36)34-26-27(22-10-8-7-9-11-22)38-23-14-12-21(13-15-23)16-17-32-28(35)24(18-19(2)3)33-30(26)37/h7-17,19-20,24-27,31H,6,18H2,1-5H3,(H,32,35)(H,33,37)(H,34,36)/b17-16-
InChIKey IEXIITHULMXRDC-MSUUIHNZSA-N
Mol Weight 520.7 g/mol
Molecular Formula C30H40N4O4
Exact Mass 520.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFy9UIBXNKw
Name Nummularine -D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40N4O4
InChI InChI=1S/C30H40N4O4/c1-6-20(4)25(31-5)29(36)34-26-27(22-10-8-7-9-11-22)38-23-14-12-21(13-15-23)16-17-32-28(35)24(18-19(2)3)33-30(26)37/h7-17,19-20,24-27,31H,6,18H2,1-5H3,(H,32,35)(H,33,37)(H,34,36)/b17-16-
InChIKey IEXIITHULMXRDC-MSUUIHNZSA-N
Molecular Weight 520.674 g/mol
SMILES N1C(C(N\C=C/c2ccc(OC(C(C1=O)NC(C(NC)C(CC)C)=O)c1ccccc1)cc2)=O)CC(C)C
SPLASH splash10-002o-9222000000-deae270e55ad2ab1f851
Source of Spectrum D3-1980-772-24
Synonyms N-[7-isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)pentanamide
Wiley ID 1401990