Chem
J-GLOBAL ID：200907014133096761   Nikkaji number：J1.072.191A

(2S)-2β-Phenyl-2-methyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester

(2S)-2β-フェニル-2-メチル-1,2,2a,5-テトラヒドロアセナフチレン-2aα,5β-ジカルボン酸ビス[(1R,3R,4S)-p-メンタン-3-イル]
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： C41H54O4
Molecular formula furigana： C41-H54-O4
Molecular weight： 610.879
InChI： InChI=1S/C41H54O4/c1-25(2)31-18-16-27(5)22-35(31)44-38(42)34-20-21-41(39(43)45-36-23-28(6)17-19-32(36)26(3)4)37-29(12-11-15-33(34)37)24-40(41,7)30-13-9-8-10-14-30/h8-15,20-21,25-28,31-32,34-36H,16-19,22-24H2,1-7H3/t27-,28-,31+,32+,34-,35-,36-,40+,41+/m1/s1
InChI key： LFEXQJHGVWTKQP-FSHDOAMVSA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@@]2(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3c(C[C@@]2(C)c2ccccc2)cccc13
Systematic name  (3)：
  • (2S)-2β-フェニル-2-メチル-1,2,2a,5-テトラヒドロアセナフチレン-2aα,5β-ジカルボン酸ビス[(1R,3R,4S)-p-メンタン-3-イル]
  • 2a,5-ビス[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル] (2S,2aS,5R)-2-メチル-2-フェニル-1,2,2a,5-テトラヒドロアセナフチレン-2a,5-ジカルボキシラート
  • 2a,5-bis[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl] (2S,2aS,5R)-2-methyl-2-phenyl-1,2,2a,5-tetrahydroacenaphthylene-2a,5-dicarboxylate
Other name (1)：
  • (2S)-2β-Phenyl-2-methyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
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