Chem
J-GLOBAL ID：200907067176831569   Nikkaji number：J825.661F

(αE,1α,6α)-3,7β-Dimethoxy-4α-(ethoxycarbonyl)bicyclo[4.1.0]hept-2-ene-7-propenoic acid ethyl ester

(αE,1α,6α)-3,7β-ジメトキシ-4α-(エトキシカルボニル)ビシクロ[4.1.0]ヘプタ-2-エン-7-プロペン酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H24O6
Molecular formula furigana： C17-H24-O6
Molecular weight： 324.373
InChI： InChI=1S/C17H24O6/c1-5-22-15(18)7-8-17(21-4)12-9-11(16(19)23-6-2)14(20-3)10-13(12)17/h7-8,10-13H,5-6,9H2,1-4H3/b8-7+/t11-,12-,13+,17-/m1/s1
InChI key： YZDRPCJXEGPEOA-YIYIZRGMSA-N
SMILES： CCOC(=O)/C=C/[C@@]1(OC)[C@@H]2C[C@@H](C(=O)OCC)C(=C[C@H]12)OC
Systematic name  (3)：
  • (αE,1α,6α)-3,7β-ジメトキシ-4α-(エトキシカルボニル)ビシクロ[4.1.0]ヘプタ-2-エン-7-プロペン酸エチル
  • エチル (1R,3R,6S,7R)-7-[(1E)-3-エトキシ-3-オキソプロパ-1-エン-1-イル]-4,7-ジメトキシビシクロ[4.1.0]ヘプタ-4-エン-3-カルボキシラート
  • ethyl (1R,3R,6S,7R)-7-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-4,7-dimethoxybicyclo[4.1.0]hept-4-ene-3-carboxylate
Other name (1)：
  • (αE,1α,6α)-3,7β-Dimethoxy-4α-(ethoxycarbonyl)bicyclo[4.1.0]hept-2-ene-7-propenoic acid ethyl ester
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