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4-O-Benzoyldiphyllin
SpectraBase Compound ID Iqzj9Ze9ue0
InChI InChI=1S/C28H20O8/c1-31-21-11-17-18(12-22(21)32-2)26(36-27(29)15-6-4-3-5-7-15)19-13-33-28(30)25(19)24(17)16-8-9-20-23(10-16)35-14-34-20/h3-12H,13-14H2,1-2H3
InChIKey GRSDVPAWQYJAHB-UHFFFAOYSA-N
Mol Weight 484.46 g/mol
Molecular Formula C28H20O8
Exact Mass 484.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IIxn5VCcm2
Name 4-O-Benzoyldiphyllin
Alternate Name(s) 9-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20O8
InChI InChI=1S/C28H20O8/c1-31-21-11-17-18(12-22(21)32-2)26(36-27(29)15-6-4-3-5-7-15)19-13-33-28(30)25(19)24(17)16-8-9-20-23(10-16)35-14-34-20/h3-12H,13-14H2,1-2H3
InChIKey GRSDVPAWQYJAHB-UHFFFAOYSA-N
Molecular Weight 484.460 g/mol
SMILES c1(cc2c(c3c(C(OC3)=O)c(-c3ccc4c(c3)OCO4)c2cc1OC)OC(c1ccccc1)=O)OC
SPLASH splash10-0a4i-0900200000-89a792546da146328886
Source of Spectrum Y1-40B-317-5
Wiley ID 1744059