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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 tert-butyl 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 tert-butyl ester
SpectraBase Compound ID HwDrdIDkWER
InChI InChI=1S/C20H28O7/c1-7-26-15(21)9-11-19(24-5)13-8-10-20(25-6,17(19)23)14(12-13)16(22)27-18(2,3)4/h8-11,13-14H,7,12H2,1-6H3/b11-9+/t13-,14-,19+,20-/m1/s1
InChIKey YDUYMPQOIBSRBD-YNULLKFZSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sBoLoQNWuN
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 tert-butyl ester
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Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-7-26-15(21)9-11-19(24-5)13-8-10-20(25-6,17(19)23)14(12-13)16(22)27-18(2,3)4/h8-11,13-14H,7,12H2,1-6H3/b11-9+/t13-,14-,19+,20-/m1/s1
InChIKey YDUYMPQOIBSRBD-YNULLKFZSA-N
Molecular Weight 380.437 g/mol
SMILES [C@@]12([C@@](C(OC(C)(C)C)=O)(C[C@](C=C2)([H])[C@](C1=O)(\C=C\C(=O)OCC)OC)[H])OC
SPLASH splash10-0002-0090000000-e15b41e50d30d201ac34
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 tert-butyl ester tert-Butyl (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 tert-Butyl (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 787473