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3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)methyl ester

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID 9HalQILA3eY
InChI InChI=1S/C28H29NO6/c1-16-24(27(31)33-14-17-5-8-19(32-4)9-6-17)25(18-7-10-22-23(11-18)35-15-34-22)26-20(29-16)12-28(2,3)13-21(26)30/h5-11,25,29H,12-15H2,1-4H3
InChIKey YELOTMMJZVEGPC-UHFFFAOYSA-N
Mol Weight 475.54 g/mol
Molecular Formula C28H29NO6
Exact Mass 475.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39An1NopfDD
Name 3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.199487652 u
Formula C28H29NO6
InChI InChI=1S/C28H29NO6/c1-16-24(27(31)33-14-17-5-8-19(32-4)9-6-17)25(18-7-10-22-23(11-18)35-15-34-22)26-20(29-16)12-28(2,3)13-21(26)30/h5-11,25,29H,12-15H2,1-4H3
InChIKey YELOTMMJZVEGPC-UHFFFAOYSA-N
Molecular Weight 475.541 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC=2OCOC2C=C1)C(OCC=1C=CC(=CC1)OC)=O)C