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(7R,8R,3'R)-7-Acetoxy-3',4'-dimethoxy-3,4-methylenedioxy-6'-oxo-.delta.-(1',4',8')-8,3'-lignan
SpectraBase Compound ID 7hC2BdyjsAB
InChI InChI=1S/C23H26O7/c1-6-7-17-12-23(27-5,21(26-4)11-18(17)25)14(2)22(30-15(3)24)16-8-9-19-20(10-16)29-13-28-19/h6,8-12,14,22H,1,7,13H2,2-5H3/t14-,22-,23-/m1/s1
InChIKey ZLKMSKWHUILKHU-BQKRCXSJSA-N
Mol Weight 414.45 g/mol
Molecular Formula C23H26O7
Exact Mass 414.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4U0kdMedHoS
Name (7R,8R,3'R)-7-Acetoxy-3',4'-dimethoxy-3,4-methylenedioxy-6'-oxo-.delta.-(1',4',8')-8,3'-lignan
Alternate Name(s) (1R,2R)-2-[(1R)-5-allyl-1,2-dimethoxy-4-oxo-2,5-cyclohexadien-1-yl]-1-(1,3-benzodioxol-5-yl)propyl acetate Acetic acid (1R,2R)-2-((R)-5-allyl-1,2-dimethoxy-4-oxo-cyclohexa-2,5-dienyl)-1-(1,3-dihydro-isobenzofuran-5-yl)-propyl ester
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Formula C23H26O7
InChI InChI=1S/C23H26O7/c1-6-7-17-12-23(27-5,21(26-4)11-18(17)25)14(2)22(30-15(3)24)16-8-9-19-20(10-16)29-13-28-19/h6,8-12,14,22H,1,7,13H2,2-5H3/t14-,22-,23-/m1/s1
InChIKey ZLKMSKWHUILKHU-BQKRCXSJSA-N
Molecular Weight 414.454 g/mol
SMILES [C@@]1(C=C(CC=C)C(C=C1OC)=O)([C@@]([C@](c1cc2OCOc2cc1)(OC(=O)C)[H])(C)[H])OC
SPLASH splash10-0006-3910000000-1bd8265b67d93e84516c
Source of Spectrum F-50-2237-1
Wiley ID 1375411