Chem
J-GLOBAL ID：200907019778018210   Nikkaji number：J1.072.187C

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

(2aS)-2,2-ジメチル-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： C36H52O4
Molecular formula furigana： C36-H52-O4
Molecular weight： 548.808
InChI： InChI=1S/C36H52O4/c1-21(2)26-14-12-23(5)18-30(26)39-33(37)29-16-17-36(32-25(20-35(36,7)8)10-9-11-28(29)32)34(38)40-31-19-24(6)13-15-27(31)22(3)4/h9-11,16-17,21-24,26-27,29-31H,12-15,18-20H2,1-8H3/t23-,24-,26+,27+,29-,30-,31-,36+/m1/s1
InChI key： OCVIQYNKQOKHFJ-AVGXSCGGSA-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(CC2(C)C)cccc13
Systematic name  (3)：
  • (2aS)-2,2-ジメチル-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] (2aS,5R)-2,2-ジメチル-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] (2aS,5R)-2,2-dimethyl-1,2,2a,5-tetrahydroacenaphthylene-2a,5-dicarboxylate
Other name (1)：
  • (2aS)-2,2-Dimethyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
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