Chem
J-GLOBAL ID：200907041482168483   Nikkaji number：J1.072.186E

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

(2S)-2β-フェニル-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： C40H52O4
Molecular formula furigana： C40-H52-O4
Molecular weight： 596.852
InChI： InChI=1S/C40H52O4/c1-24(2)30-17-15-26(5)21-35(30)43-38(41)33-19-20-40(39(42)44-36-22-27(6)16-18-31(36)25(3)4)34(28-11-8-7-9-12-28)23-29-13-10-14-32(33)37(29)40/h7-14,19-20,24-27,30-31,33-36H,15-18,21-23H2,1-6H3/t26-,27-,30+,31+,33-,34+,35-,36-,40+/m1/s1
InChI key： RBASVMKGNXQEEQ-HZBHYKGCSA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@@]2([C@@H](Cc3cccc1c23)c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Systematic name  (3)：
  • (2S)-2β-フェニル-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-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-phenyl-1,2,2a,5-tetrahydroacenaphthylene-2a,5-dicarboxylate
Other name (1)：
  • (2S)-2β-Phenyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
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