Chem
J-GLOBAL ID：200907064484429268   Nikkaji number：J587.942F

Cholesteryloxybutyric acid

コレステリルオキシ酪酸
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： C31H52O3
Molecular formula furigana： C31-H52-O3
Molecular weight： 472.754
InChI： InChI=1S/C31H52O3/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(34-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,32,33)/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
InChI key： CRDNCPAYGSTGQR-GTPODGLVSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCCCC(=O)O
Systematic name  (3)：
  • 4-[(コレスタ-5-エン-3β-イル)オキシ]酪酸
  • 4-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}ブタン酸
  • 4-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}butanoic acid
Other name (3)：
  • コレステリルオキシ酪酸
  • Cholesteryloxybutyric acid
  • 4-[(Cholest-5-en-3β-yl)oxy]butyric acid
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