Chem
J-GLOBAL ID：200907025040801009   Nikkaji number：J1.166.320F

5α-Hexyl-2,3,3aα,4,5,7aα-hexahydro-1H-indene-4α-carboxylic acid 4α-cyclohexylcyclohexane-1β-yl ester

5α-ヘキシル-2,3,3aα,4,5,7aα-ヘキサヒドロ-1H-インデン-4α-カルボン酸4α-シクロヘキシルシクロヘキサン-1β-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： C28H46O2
Molecular formula furigana： C28-H46-O2
Molecular weight： 414.674
InChI： InChI=1S/C28H46O2/c1-2-3-4-6-12-24-16-15-23-13-9-14-26(23)27(24)28(29)30-25-19-17-22(18-20-25)21-10-7-5-8-11-21/h15-16,21-27H,2-14,17-20H2,1H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChI key： DTJKFHIPZZUPNQ-ZRRJEQDASA-N
SMILES： CCCCCC[C@@H]1C=C[C@H]2CCC[C@H]2[C@@H]1C(=O)O[C@H]1CC[C@@H](CC1)C1CCCCC1
Systematic name  (3)：
  • 5α-ヘキシル-2,3,3aα,4,5,7aα-ヘキサヒドロ-1H-インデン-4α-カルボン酸4α-シクロヘキシルシクロヘキサン-1β-イル
  • (1r,4r)-[1,1'-ビ(シクロヘキサン)]-4-イル (3aR,4R,5R,7aR)-5-ヘキシル-2,3,3a,4,5,7a-ヘキサヒドロ-1H-インデン-4-カルボキシラート
  • (1r,4r)-[1,1'-bi(cyclohexane)]-4-yl (3aR,4R,5R,7aR)-5-hexyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
Other name (1)：
  • 5α-Hexyl-2,3,3aα,4,5,7aα-hexahydro-1H-indene-4α-carboxylic acid 4α-cyclohexylcyclohexane-1β-yl ester
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