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Frangufoline
SpectraBase Compound ID LfijvWLTxCJ
InChI InChI=1S/C31H42N4O4/c1-20(2)18-26-29(36)32-17-16-23-12-14-25(15-13-23)39-28(21(3)4)27(30(37)33-26)34-31(38)35(6)22(5)19-24-10-8-7-9-11-24/h7-17,20-22,26-28H,18-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b17-16-/t22?,26?,27-,28-/m0/s1
InChIKey WQPZSQCNNSYPRF-WGOHGPOUSA-N
Mol Weight 534.7 g/mol
Molecular Formula C31H42N4O4
Exact Mass 534.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L6FXsm2xk
Name Frangufoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N4O4
InChI InChI=1S/C31H42N4O4/c1-20(2)18-26-29(36)32-17-16-23-12-14-25(15-13-23)39-28(21(3)4)27(30(37)33-26)34-31(38)35(6)22(5)19-24-10-8-7-9-11-24/h7-17,20-22,26-28H,18-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b17-16-/t22?,26?,27-,28-/m0/s1
InChIKey WQPZSQCNNSYPRF-WGOHGPOUSA-N
Molecular Weight 534.701 g/mol
SMILES N1C(C(N\C=C/c2ccc(O[C@]([C@@](C1=O)(NC(N(C(Cc1ccccc1)C)C)=O)[H])(C(C)C)[H])cc2)=O)CC(C)C
SPLASH splash10-0002-5900000000-464cfc7ce34b7b381ac2
Source of Spectrum CD-244-0-0
Synonyms N'-[(3S,4S)-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N-methyl-N-(1-methyl-2-phenylethyl)urea
Wiley ID 1403856