Chem
J-GLOBAL ID：200907047235096710   Nikkaji number：J259.890F

(+)-CP-55940

3α-[4-(1,1-ジメチルヘプチル)-2-ヒドロキシフェニル]-4β-(3-ヒドロキシプロピル)シクロヘキサン-1α-オール
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： C24H40O3
Molecular formula furigana： C24-H40-O3
Molecular weight： 376.581
InChI： InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
InChI key： YNZFFALZMRAPHQ-VCOUNFBDSA-N
SMILES： CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Systematic name  (5)：
  • 3α-[4-(1,1-ジメチルヘプチル)-2-ヒドロキシフェニル]-4β-(3-ヒドロキシプロピル)シクロヘキサン-1α-オール
  • (1S,3S,4S)-3-[4-(1,1-ジメチルヘプチル)-2-ヒドロキシフェニル]-4-(3-ヒドロキシプロピル)シクロヘキサン-1-オール
  • 5-(1,1-ジメチルヘプチル)-2-[(1S,2S,5S)-5-ヒドロキシ-2-(3-ヒドロキシプロピル)シクロヘキサン-1-イル]フェノール
  • 2-[(1S,2S,5S)-5-ヒドロキシ-2-(3-ヒドロキシプロピル)シクロヘキシル]-5-(2-メチルオクタン-2-イル)フェノール
  • 2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Other name (4)：
  • 3α-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-4β-(3-hydroxypropyl)cyclohexan-1α-ol
  • (1S,3S,4S)-3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-4-(3-hydroxypropyl)cyclohexan-1-ol
  • 5-(1,1-Dimethylheptyl)-2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexan-1-yl]phenol
  • (+)-CP-55940
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