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Coccineone A - triacetate

View entire compound with spectra: 1 MS (GC)

Coccineone A - triacetate
SpectraBase Compound ID 4MnL6wmEDer
InChI InChI=1S/C21H14O9/c1-9(22)26-12-7-15(28-11(3)24)18-16(8-12)29-21-17(19(18)25)13-5-4-6-14(20(13)30-21)27-10(2)23/h4-8H,1-3H3
InChIKey AVNRJBKEGHBACZ-UHFFFAOYSA-N
Mol Weight 410.33 g/mol
Molecular Formula C21H14O9
Exact Mass 410.063782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP78NwHAEXw
Name Coccineone A - triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O9
InChI InChI=1S/C21H14O9/c1-9(22)26-12-7-15(28-11(3)24)18-16(8-12)29-21-17(19(18)25)13-5-4-6-14(20(13)30-21)27-10(2)23/h4-8H,1-3H3
InChIKey AVNRJBKEGHBACZ-UHFFFAOYSA-N
Molecular Weight 410.334 g/mol
SMILES c12c(oc3c2cccc3OC(=O)C)Oc2c(C1=O)c(cc(c2)OC(=O)C)OC(=O)C
SPLASH splash10-001i-0092000000-c21c47eb98bc4db01340
Source of Spectrum X2-54-598-3
Synonyms 5,7,3'-Triacetoxy-coumaron-chromone
Wiley ID 1604035