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Thunberginol F triacetate [(Z)-3-(3,4-diacetoxybenzylidene)-7-acetoxyphthalide]
SpectraBase Compound ID KuDjNpBUnvm
InChI InChI=1S/C21H16O8/c1-11(22)26-16-8-7-14(10-19(16)28-13(3)24)9-18-15-5-4-6-17(27-12(2)23)20(15)21(25)29-18/h4-10H,1-3H3/b18-9-
InChIKey CGOBVZLODRKYBF-NVMNQCDNSA-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 FsJ0x7IG2oa
Name Thunberginol F triacetate [(Z)-3-(3,4-diacetoxybenzylidene)-7-acetoxyphthalide]
Alternate Name(s) Thunberginol F triacetate Acetic acid [2-acetyloxy-4-[(Z)-(4-acetyloxy-3-oxo-1-isobenzofuranylidene)methyl]phenyl] ester [2-acetyloxy-4-[(Z)-(4-acetyloxy-3-oxo-2-benzofuran-1-ylidene)methyl]phenyl] acetate [2-acetoxy-4-[(Z)-(4-acetoxy-3-oxo-isobenzofuran-1-ylidene)methyl]phenyl] acetate [2-acetyloxy-4-[(Z)-(4-acetyloxy-3-oxidanylidene-2-benzofuran-1-ylidene)methyl]phenyl] ethanoate
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Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-11(22)26-16-8-7-14(10-19(16)28-13(3)24)9-18-15-5-4-6-17(27-12(2)23)20(15)21(25)29-18/h4-10H,1-3H3/b18-9-
InChIKey CGOBVZLODRKYBF-NVMNQCDNSA-N
Molecular Weight 396.351 g/mol
SMILES C1(c2c(cccc2OC(=O)C)\C(O1)=C\c1cc(OC(=O)C)c(cc1)OC(=O)C)=O
SPLASH splash10-00di-0096000000-b860a29fbde3bfbebf4f
Source of Spectrum E1-42-2228-3
Wiley ID 1552810