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Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-

View entire compound with spectra: 3 MS (GC)

Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-
SpectraBase Compound ID Adn84d6i53P
InChI InChI=1S/C31H44N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-16,20-21,25-28H,7,17-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)
InChIKey ODDJEYUIZWWSGK-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C31H44N4O4
Exact Mass 536.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvD8MG78xG5
Name Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-
CAS Registry Number 55517-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44N4O4
InChI InChI=1S/C31H44N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-16,20-21,25-28H,7,17-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)
InChIKey ODDJEYUIZWWSGK-UHFFFAOYSA-N
Molecular Weight 536.717 g/mol
SMILES N(C1C(NC(CC(C)C)C(NCCc2ccc(OC1c1ccccc1)cc2)=O)=O)C(C(C(C)CC)N(C)C)=O
SPLASH splash10-03di-2900000000-b1170ccc0962d3129177
Source of Spectrum AD-0-1176-0
Synonyms 2-(dimethylamino)-3-methyl-N-[6-(2-methylpropyl)-5,8-bis(oxidanylidene)-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]pentanamide 2-(dimethylamino)-3-methyl-N-[6-(2-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]pentanamide 2-(dimethylamino)-N-(6-isobutyl-5,8-diketo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-3-methyl-valeramide Dihydro-integerrenin 2-(dimethylamino)-N-(6-isobutyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl)-3-methyl-pentanamide Integerrenine, dihydro- N-Methyldihydronummularine D 2-(Dimethylamino)-N-[7-isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide-, [3R-[3R*,4S*(2S*,3R*),7S*]]-
Wiley ID 63994