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(3S,4R)-3-(3,4-dimethoxybenzoyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
SpectraBase Compound ID CBlMLxPXXKN
InChI InChI=1S/C22H24O7/c1-25-16-7-5-13(10-18(16)27-3)9-15-12-29-22(24)20(15)21(23)14-6-8-17(26-2)19(11-14)28-4/h5-8,10-11,15,20H,9,12H2,1-4H3/t15-,20-/m0/s1
InChIKey NLCJAQOHNTWMQQ-YWZLYKJASA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqoNO30J1aG
Name (3S,4R)-3-(3,4-dimethoxybenzoyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
Alternate Name(s) O-methylconicaol B 7-Oxoarcitin
Appearance amorphous solid
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Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-25-16-7-5-13(10-18(16)27-3)9-15-12-29-22(24)20(15)21(23)14-6-8-17(26-2)19(11-14)28-4/h5-8,10-11,15,20H,9,12H2,1-4H3/t15-,20-/m0/s1
InChIKey NLCJAQOHNTWMQQ-YWZLYKJASA-N
Instrument Name Hewlett-Packard 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00437
Molecular Weight 400.427 g/mol
Reported Formula C22H24O7
SMILES c1cc(cc(c1OC)OC)C(=O)[C@]1(C(=O)OC[C@@]1(Cc1cc(c(cc1)OC)OC)[H])[H]
SPLASH splash10-004i-1900000000-cfb87828793eeed733d0
Source of Spectrum G4-83-SM34-6
Wiley ID 1876851