Chem
J-GLOBAL ID：200907068917608583   Nikkaji number：J1.072.190C

(2R)-2α-Phenyl-2-methyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-8-phenyl-p-menthane-3-yl] ester

(2R)-2α-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)-8-フェニル-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： C53H62O4
Molecular formula furigana： C53-H62-O4
Molecular weight： 763.075
InChI： InChI=1S/C53H62O4/c1-35-26-28-43(50(3,4)38-19-11-8-12-20-38)45(32-35)56-48(54)42-30-31-53(47-37(18-17-25-41(42)47)34-52(53,7)40-23-15-10-16-24-40)49(55)57-46-33-36(2)27-29-44(46)51(5,6)39-21-13-9-14-22-39/h8-25,30-31,35-36,42-46H,26-29,32-34H2,1-7H3/t35-,36-,42-,43-,44-,45-,46-,52-,53+/m1/s1
InChI key： ABYUHBKNVHUBJK-VYRMXUBQSA-N
SMILES： C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1C=C[C@@]2(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)(C)c3ccccc3)c3c(C[C@]2(C)c2ccccc2)cccc13)C(C)(C)c1ccccc1
Systematic name  (3)：
  • (2R)-2α-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)-8-フェニル-p-メンタン-3-イル]
  • 2a,5-ビス[(1R,2S,5R)-5-メチル-2-(2-フェニルプロパン-2-イル)シクロヘキシル] (2R,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-(2-phenylpropan-2-yl)cyclohexyl] (2R,2aS,5R)-2-methyl-2-phenyl-1,2,2a,5-tetrahydroacenaphthylene-2a,5-dicarboxylate
Other name (1)：
  • (2R)-2α-Phenyl-2-methyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-8-phenyl-p-menthane-3-yl] ester
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