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(1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid ethyl ester
SpectraBase Compound ID IQBBiajwf48
InChI InChI=1S/C18H24O7/c1-5-24-14(19)8-10-17(22-3)12-7-9-18(23-4,16(17)21)13(11-12)15(20)25-6-2/h7-10,12-13H,5-6,11H2,1-4H3/b10-8+/t12-,13-,17+,18-/m1/s1
InChIKey XWIBFJZBIATRPC-ADRYOKDVSA-N
Mol Weight 352.38 g/mol
Molecular Formula C18H24O7
Exact Mass 352.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXDCU2Ja8b6
Name (1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid ethyl ester
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Formula C18H24O7
InChI InChI=1S/C18H24O7/c1-5-24-14(19)8-10-17(22-3)12-7-9-18(23-4,16(17)21)13(11-12)15(20)25-6-2/h7-10,12-13H,5-6,11H2,1-4H3/b10-8+/t12-,13-,17+,18-/m1/s1
InChIKey XWIBFJZBIATRPC-ADRYOKDVSA-N
Molecular Weight 352.383 g/mol
SMILES [C@]12(C([C@@](\C=C\C(=O)OCC)(OC)[C@](C=C2)(C[C@@]1(C(=O)OCC)[H])[H])=O)OC
SPLASH splash10-014l-0091000000-78aa1732826ebd0ba0ee
Source of Spectrum KC-0-571-9
Synonyms (1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,4-dimethoxy-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid ethyl ester Ethyl (1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,4-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate Ethyl (1S,2S,4R,8S)-2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,4-dimethoxy-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carboxylate
Wiley ID 787474