Chem
J-GLOBAL ID：200907070312032153   Nikkaji number：J1.072.182B

(2aS)-2,2-Dimethyl-1,2,2a,5-tetrahydroacenaphthylene-2aα,5β-dicarboxylic acid bis[(1S,4S)-bornane-2α-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[(1S,4S)-ボルナン-2α-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： C36H48O4
Molecular formula furigana： C36-H48-O4
Molecular weight： 544.776
InChI： InChI=1S/C36H48O4/c1-31(2)20-21-10-9-11-24-25(29(37)39-26-18-22-12-15-34(26,7)32(22,3)4)14-17-36(31,28(21)24)30(38)40-27-19-23-13-16-35(27,8)33(23,5)6/h9-11,14,17,22-23,25-27H,12-13,15-16,18-20H2,1-8H3/t22-,23-,25+,26+,27+,34+,35+,36-/m0/s1
InChI key： KDRDWJZQGSJCJK-SEFTZMPNSA-N
SMILES： CC1(C)Cc2cccc3[C@@H](C=C[C@@]1(C(=O)O[C@@H]1C[C@@H]4CC[C@@]1(C)C4(C)C)c23)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
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[(1S,4S)-ボルナン-2α-イル]
  • 2a,5-ビス[(1S,2R,4S)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル] (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[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl] (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[(1S,4S)-bornane-2α-yl] ester
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