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FALCONENSIN-A
SpectraBase Compound ID 33B3c3mw8I6
InChI InChI=1S/C23H24Cl2O7/c1-6-7-13-8-12-9-15(26)23(3,21(27)14(12)10-31-13)32-22(28)16-11(2)17(24)20(30-5)18(25)19(16)29-4/h6-9,14,21,27H,10H2,1-5H3/b7-6+/t14-,21+,23+/m1/s1
InChIKey UPGFIGSJKQUWJR-AHFGERQWSA-N
Mol Weight 483.34 g/mol
Molecular Formula C23H24Cl2O7
Exact Mass 482.089909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wGoaEc5Vtg
Name Falconensins A
Alternate Name(s) 3,5-Dichloro-2,4-dimethoxy-6-methylbenzoic acid [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-2-benzopyran-7-yl] ester [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methyl-benzoate [(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3,5-bis(chloranyl)-2,4-dimethoxy-6-methyl-benzoate
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Formula C23H24Cl2O7
InChI InChI=1S/C23H24Cl2O7/c1-6-7-13-8-12-9-15(26)23(3,21(27)14(12)10-31-13)32-22(28)16-11(2)17(24)20(30-5)18(25)19(16)29-4/h6-9,14,21,27H,10H2,1-5H3/b7-6+/t14-,21+,23+/m1/s1
InChIKey UPGFIGSJKQUWJR-AHFGERQWSA-N
Molecular Weight 483.344 g/mol
SMILES O[C@]1([C@]2(C(C=C(OC2)\C=C\C)=CC([C@@]1(OC(c1c(c(Cl)c(c(c1C)Cl)OC)OC)=O)C)=O)[H])[H]
SPLASH splash10-000b-0090200000-a5471d3c0fab8288f14e
Source of Spectrum E1-40-3143-1
Wiley ID 1551791