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Thunberginol A triacetate
SpectraBase Compound ID CGjtnrLwQf0
InChI InChI=1S/C21H16O8/c1-11(22)26-16-8-7-14(9-19(16)28-13(3)24)18-10-15-5-4-6-17(27-12(2)23)20(15)21(25)29-18/h4-10H,1-3H3
InChIKey VNZUOAXHJJSPJG-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C21H16O8
Exact Mass 396.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cYyvdHUmIe
Name Thunberginol A triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-11(22)26-16-8-7-14(9-19(16)28-13(3)24)18-10-15-5-4-6-17(27-12(2)23)20(15)21(25)29-18/h4-10H,1-3H3
InChIKey VNZUOAXHJJSPJG-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES C1(c2c(cccc2OC(=O)C)C=C(O1)c1cc(OC(=O)C)c(cc1)OC(=O)C)=O
SPLASH splash10-00di-0098000000-a02622d26fb892d6f032
Source of Spectrum E1-42-2228-1
Synonyms Thunberginol A triacetate[3-(3,4-Diacetoxyphenyl)-8-acetoxyisocoumarin ] Acetic acid [2-acetyloxy-4-(8-acetyloxy-1-oxo-2-benzopyran-3-yl)phenyl] ester [2-acetyloxy-4-(8-acetyloxy-1-oxoisochromen-3-yl)phenyl] acetate [2-acetoxy-4-(8-acetoxy-1-oxo-isochromen-3-yl)phenyl] acetate [2-acetyloxy-4-(8-acetyloxy-1-oxidanylidene-isochromen-3-yl)phenyl] ethanoate
Wiley ID 1552813