Chem
J-GLOBAL ID：200907050946122120   Nikkaji number：J881.986F

3β-[(E)-3-Methyl-1,3-butadienyl]-4α-(2-propenyl)cyclopentane-1,1-dicarboxylic acid diethyl ester

3β-[(E)-3-メチル-1,3-ブタジエニル]-4α-(2-プロペニル)シクロペンタン-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： C19H28O4
Molecular formula furigana： C19-H28-O4
Molecular weight： 320.429
InChI： InChI=1S/C19H28O4/c1-6-9-15-12-19(17(20)22-7-2,18(21)23-8-3)13-16(15)11-10-14(4)5/h6,10-11,15-16H,1,4,7-9,12-13H2,2-3,5H3/b11-10+/t15-,16-/m1/s1
InChI key： QBTIRSAHAVYCPZ-NUPWCOBBSA-N
SMILES： CCOC(=O)C1(C[C@@H](CC=C)[C@@H](C1)/C=C/C(=C)C)C(=O)OCC
Systematic name  (3)：
  • 3β-[(E)-3-メチル-1,3-ブタジエニル]-4α-(2-プロペニル)シクロペンタン-1,1-ジカルボン酸ジエチル
  • 1,1-ジエチル (3R,4R)-3-[(1E)-3-メチルブタ-1,3-ジエン-1-イル]-4-(プロパ-2-エン-1-イル)シクロペンタン-1,1-ジカルボキシラート
  • 1,1-diethyl (3R,4R)-3-[(1E)-3-methylbuta-1,3-dien-1-yl]-4-(prop-2-en-1-yl)cyclopentane-1,1-dicarboxylate
Other name (1)：
  • 3β-[(E)-3-Methyl-1,3-butadienyl]-4α-(2-propenyl)cyclopentane-1,1-dicarboxylic acid diethyl ester
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