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Falconensin E
SpectraBase Compound ID BDKoqbnqdeU
InChI InChI=1S/C23H25ClO7/c1-6-7-14-8-13-9-18(25)23(3,21(26)15(13)11-30-14)31-22(27)19-12(2)20(24)17(29-5)10-16(19)28-4/h6-10,15,21,26H,11H2,1-5H3/b7-6+/t15-,21+,23+/m1/s1
InChIKey YVTDTJGERJTOBX-UYBCDTHQSA-N
Mol Weight 448.9 g/mol
Molecular Formula C23H25ClO7
Exact Mass 448.128881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gCcqAQNDVi
Name Falconensin E
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClO7
InChI InChI=1S/C23H25ClO7/c1-6-7-14-8-13-9-18(25)23(3,21(26)15(13)11-30-14)31-22(27)19-12(2)20(24)17(29-5)10-16(19)28-4/h6-10,15,21,26H,11H2,1-5H3/b7-6+/t15-,21+,23+/m1/s1
InChIKey YVTDTJGERJTOBX-UYBCDTHQSA-N
Molecular Weight 448.899 g/mol
SMILES O[C@]1([C@]2(C(C=C(OC2)\C=C\C)=CC([C@@]1(OC(c1c(c(Cl)c(cc1OC)OC)C)=O)C)=O)[H])[H]
SPLASH splash10-03dj-0090500000-cd78fbdd7c85acb024c4
Source of Spectrum E1-44-2216-5
Synonyms 3-Chloro-4,6-dimethoxy-2-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-chloro-4,6-dimethoxy-2-methylbenzoate [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4,6-dimethoxy-2-methyl-benzoate [(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 3-chloranyl-4,6-dimethoxy-2-methyl-benzoate
Wiley ID 1553634