Chem
J-GLOBAL ID：200907072173728280   Nikkaji number：J882.289A

(3R)-3β-[(1E,3E)-2-Methyl-5-phenyl-1,3-pentadienyl]-4α-(2-propenyl)cyclohexane-1,1-dicarboxylic acid diethyl ester

(3R)-3β-[(1E,3E)-2-メチル-5-フェニル-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： C27H36O4
Molecular formula furigana： C27-H36-O4
Molecular weight： 424.581
InChI： InChI=1S/C27H36O4/c1-5-12-23-17-18-27(25(28)30-6-2,26(29)31-7-3)20-24(23)19-21(4)13-11-16-22-14-9-8-10-15-22/h5,8-11,13-15,19,23-24H,1,6-7,12,16-18,20H2,2-4H3/b13-11+,21-19+/t23-,24-/m1/s1
InChI key： MJMIJWQJTXWTKO-VMMNZLHXSA-N
SMILES： CCOC(=O)C1(CC[C@@H](CC=C)[C@@H](C1)/C=C(\C)/C=C/Cc1ccccc1)C(=O)OCC
Systematic name  (3)：
  • (3R)-3β-[(1E,3E)-2-メチル-5-フェニル-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-[(1E,3E)-2-メチル-5-フェニルペンタ-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-[(1E,3E)-2-methyl-5-phenylpenta-1,3-dien-1-yl]-4-(prop-2-en-1-yl)cyclohexane-1,1-dicarboxylate
Other name (1)：
  • (3R)-3β-[(1E,3E)-2-Methyl-5-phenyl-1,3-pentadienyl]-4α-(2-propenyl)cyclohexane-1,1-dicarboxylic acid diethyl ester
Thsaurus map：
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