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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, cyclohexyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, cyclohexyl ester
SpectraBase Compound ID LigoPVO642K
InChI InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25,30H,5-9,13-14H2,1-4H3
InChIKey NKSCXPSHPDHKLF-UHFFFAOYSA-N
Mol Weight 475.6 g/mol
Molecular Formula C29H33NO5
Exact Mass 475.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KOpTKQRZKC
Name 2,7,7-trimethyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO5
InChI InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25,30H,5-9,13-14H2,1-4H3
InChIKey NKSCXPSHPDHKLF-UHFFFAOYSA-N
Molecular Weight 475.585 g/mol
SMILES N1C(=C(C(C2=C1CC(CC2=O)(C)C)C=1C(c2cc(C)ccc2OC1)=O)C(OC1CCCCC1)=O)C
SPLASH splash10-0002-6549000000-4ea04a438b6a4814ae68
Synonyms 5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1455002