Chem
J-GLOBAL ID：200907028869158358   Nikkaji number：J2.496.253I

(3R)-3α-[(E)-3,3-Dimethyl-1-butenyl]-4β-benzoyl-5α-(β-oxophenethyl)cyclohexane-1,1-dicarboxylic acid diethyl ester

(3R)-3α-[(E)-3,3-ジメチル-1-ブテニル]-4β-ベンゾイル-5α-(β-オキソフェネチル)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： C33H40O6
Molecular formula furigana： C33-H40-O6
Molecular weight： 532.677
InChI： InChI=1S/C33H40O6/c1-6-38-30(36)33(31(37)39-7-2)21-25(18-19-32(3,4)5)28(29(35)24-16-12-9-13-17-24)26(22-33)20-27(34)23-14-10-8-11-15-23/h8-19,25-26,28H,6-7,20-22H2,1-5H3/b19-18+/t25-,26+,28+/m0/s1
InChI key： PMMHAFHJYQJYPU-RELDBBLWSA-N
SMILES： CCOC(=O)C1(C[C@@H](CC(=O)c2ccccc2)[C@@H]([C@H](C1)/C=C/C(C)(C)C)C(=O)c1ccccc1)C(=O)OCC
Systematic name  (3)：
  • (3R)-3α-[(E)-3,3-ジメチル-1-ブテニル]-4β-ベンゾイル-5α-(β-オキソフェネチル)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,5S)-4-ベンゾイル-3-[(1E)-3,3-ジメチルブタ-1-エン-1-イル]-5-(2-オキソ-2-フェニルエチル)シクロヘキサン-1,1-ジカルボキシラート
  • 1,1-diethyl (3R,4S,5S)-4-benzoyl-3-[(1E)-3,3-dimethylbut-1-en-1-yl]-5-(2-oxo-2-phenylethyl)cyclohexane-1,1-dicarboxylate
Other name (1)：
  • (3R)-3α-[(E)-3,3-Dimethyl-1-butenyl]-4β-benzoyl-5α-(β-oxophenethyl)cyclohexane-1,1-dicarboxylic acid diethyl ester
Thsaurus map：
Thesaurus Map

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