Chem
J-GLOBAL ID：200907075790775147   Nikkaji number：J748.002D

Fumaric acid 1-(1β,1′-bi[cyclohexan]-4α-yl)4-(3-cyclohexylpropyl) ester

フマル酸1-(1β,1′-ビ[シクロヘキサン]-4α-イル)4-(3-シクロヘキシルプロピル)
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： C25H40O4
Molecular formula furigana： C25-H40-O4
Molecular weight： 404.591
InChI： InChI=1S/C25H40O4/c26-24(28-19-7-10-20-8-3-1-4-9-20)17-18-25(27)29-23-15-13-22(14-16-23)21-11-5-2-6-12-21/h17-18,20-23H,1-16,19H2/b18-17+/t22-,23-
InChI key： DIZUTHIOKZVYKS-UWGCFUMVSA-N
SMILES： O=C(OCCCC1CCCCC1)/C=C/C(=O)O[C@H]1CC[C@@H](CC1)C1CCCCC1
Systematic name  (3)：
  • フマル酸1-(1β,1′-ビ[シクロヘキサン]-4α-イル)4-(3-シクロヘキシルプロピル)
  • 1-(3-シクロヘキシルプロピル) (1r,4r)-[1,1'-ビ(シクロヘキサン)]-4-イル (2E)-ブタ-2-エンジオアート
  • 1-(3-cyclohexylpropyl) (1r,4r)-[1,1'-bi(cyclohexane)]-4-yl (2E)-but-2-enedioate
Other name (1)：
  • Fumaric acid 1-(1β,1′-bi[cyclohexan]-4α-yl)4-(3-cyclohexylpropyl) ester
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