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4',5'-Dimethoxy-3,4-methylenedioxy-2'-oxo-.delta.(3',5',8'-8,1'-lignan[6-[2-(1,3-benzodioxol-5-yl)-1-methylethyl-3,4-dimethoxy-6-(2-propenyl)-2,4-cyclohexadien-1-one)

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4',5'-Dimethoxy-3,4-methylenedioxy-2'-oxo-.delta.(3',5',8'-8,1'-lignan[6-[2-(1,3-benzodioxol-5-yl)-1-methylethyl-3,4-dimethoxy-6-(2-propenyl)-2,4-cyclohexadien-1-one)
SpectraBase Compound ID FL9jTFguqeU
InChI InChI=1S/C21H24O5/c1-5-8-21(12-19(24-4)17(23-3)11-20(21)22)14(2)9-15-6-7-16-18(10-15)26-13-25-16/h5-7,10-12,14H,1,8-9,13H2,2-4H3
InChIKey HPQGCXZCNINQHZ-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7FYwAE23nF
Name 4',5'-Dimethoxy-3,4-methylenedioxy-2'-oxo-.delta.(3',5',8'-8,1'-lignan[6-[2-(1,3-benzodioxol-5-yl)-1-methylethyl-3,4-dimethoxy-6-(2-propenyl)-2,4-cyclohexadien-1-one)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-5-8-21(12-19(24-4)17(23-3)11-20(21)22)14(2)9-15-6-7-16-18(10-15)26-13-25-16/h5-7,10-12,14H,1,8-9,13H2,2-4H3
InChIKey HPQGCXZCNINQHZ-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES C1(C=C(OC)C(=CC1=O)OC)(C(CC1=CC=2OCOC2C=C1)C)CC=C