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6,7-Methylenedioxy-2-methyl-3-phytyl-4[1H]-quinolone

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6,7-Methylenedioxy-2-methyl-3-phytyl-4[1H]-quinolone
SpectraBase Compound ID w2GXjkvFV0
InChI InChI=1S/C31H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-25(6)32-28-19-30-29(34-20-35-30)18-27(28)31(26)33/h16,18-19,21-23H,7-15,17,20H2,1-6H3,(H,32,33)/b24-16+
InChIKey QICWWCPSSJZRPJ-LFVJCYFKSA-N
Mol Weight 481.7 g/mol
Molecular Formula C31H47NO3
Exact Mass 481.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkEXjb5A0NK
Name 6,7-Methylenedioxy-2-methyl-3-phytyl-4[1H]-quinolone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.355594374 u
Formula C31H47NO3
InChI InChI=1S/C31H47NO3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-25(6)32-28-19-30-29(34-20-35-30)18-27(28)31(26)33/h16,18-19,21-23H,7-15,17,20H2,1-6H3,(H,32,33)/b24-16+
InChIKey QICWWCPSSJZRPJ-LFVJCYFKSA-N
Molecular Weight 481.721 g/mol
SMILES C1=C2C(=CC3=C1C(C(=C(N3)C)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=O)OCO2