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1-(Acetoxymethyl)-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-isobenzo[furo[4,5-b]-(1,4)]-benzodioxepine

View entire compound with spectra: 1 MS (GC)

1-(Acetoxymethyl)-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-isobenzo[furo[4,5-b]-(1,4)]-benzodioxepine
SpectraBase Compound ID 3KUfWT5zKpt
InChI InChI=1S/C21H18O10/c1-8-5-11(26-4)6-12-13(8)19(24)30-17-9(2)16(23)14-15(18(17)29-12)21(31-20(14)25)28-7-27-10(3)22/h5-6,21,23H,7H2,1-4H3
InChIKey WJSJXOUBUUFIOM-UHFFFAOYSA-N
Mol Weight 430.37 g/mol
Molecular Formula C21H18O10
Exact Mass 430.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U2rsKCq0mx
Name 1-(Acetoxymethyl)-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-isobenzo[furo[4,5-b]-(1,4)]-benzodioxepine
Alternate Name(s) 11-O-Acetylcryptostictic acid [(4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]inden-1-yl)oxy]methyl acetate
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Formula C21H18O10
InChI InChI=1S/C21H18O10/c1-8-5-11(26-4)6-12-13(8)19(24)30-17-9(2)16(23)14-15(18(17)29-12)21(31-20(14)25)28-7-27-10(3)22/h5-6,21,23H,7H2,1-4H3
InChIKey WJSJXOUBUUFIOM-UHFFFAOYSA-N
Molecular Weight 430.365 g/mol
SMILES Oc1c2c(c3Oc4c(c(C)cc(c4)OC)C(Oc3c1C)=O)C(OCOC(=O)C)OC2=O
SPLASH splash10-0a4i-5900000000-170d336fd16d550d5ab8
Source of Spectrum B-53-818-11
Wiley ID 810991