Chem
J-GLOBAL ID：200907026397588199   Nikkaji number：J1.072.181D

(2aS)-2,2-Dimethyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1R,3R,4S)-8-phenyl-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)-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： C48H60O4
Molecular formula furigana： C48-H60-O4
Molecular weight： 701.004
InChI： InChI=1S/C48H60O4/c1-31-22-24-38(46(5,6)34-17-11-9-12-18-34)40(28-31)51-43(49)37-26-27-48(42-33(30-45(48,3)4)16-15-21-36(37)42)44(50)52-41-29-32(2)23-25-39(41)47(7,8)35-19-13-10-14-20-35/h9-21,26-27,31-32,37-41H,22-25,28-30H2,1-8H3/t31-,32-,37-,38-,39-,40-,41-,48+/m1/s1
InChI key： CSHULUUYODHOMJ-JKKFMYEKSA-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(CC2(C)C)cccc13)C(C)(C)c1ccccc1
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)-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] (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-(2-phenylpropan-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)-8-phenyl-p-menthane-3-yl] ester
Thsaurus map：
Thesaurus Map

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