Chem
J-GLOBAL ID：200907018246117795   Nikkaji number：J879.937G

3β-(1,3-Pentadienyl)-4α-(2-propenyl)cyclohexane-1,1-dicarboxylic acid diethyl ester

3β-(1,3-ペンタジエニル)-4α-(2-プロペニル)シクロヘキサン-1,1-ジカルボン酸ジエチル
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： C20H30O4
Molecular formula furigana： C20-H30-O4
Molecular weight： 334.456
InChI： InChI=1S/C20H30O4/c1-5-9-10-12-17-15-20(18(21)23-7-3,19(22)24-8-4)14-13-16(17)11-6-2/h5-6,9-10,12,16-17H,2,7-8,11,13-15H2,1,3-4H3/t16-,17-/m1/s1
InChI key： KBBFNHPXCDZQKX-IAGOWNOFSA-N
SMILES： CCOC(=O)C1(CC[C@@H](CC=C)[C@@H](C1)C=CC=CC)C(=O)OCC
Systematic name  (3)：
  • 3β-(1,3-ペンタジエニル)-4α-(2-プロペニル)シクロヘキサン-1,1-ジカルボン酸ジエチル
  • 1,1-ジエチル (3R,4S)-3-(ペンタ-1,3-ジエン-1-イル)-4-(プロパ-2-エン-1-イル)シクロヘキサン-1,1-ジカルボキシラート
  • 1,1-diethyl (3R,4S)-3-(penta-1,3-dien-1-yl)-4-(prop-2-en-1-yl)cyclohexane-1,1-dicarboxylate
Other name (1)：
  • 3β-(1,3-Pentadienyl)-4α-(2-propenyl)cyclohexane-1,1-dicarboxylic acid diethyl ester
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