Chem
J-GLOBAL ID：200907015619482619   Nikkaji number：J2.528.321J

3,3-Dimethylglutaric acid 1-(3β-cholesteryl) ester

3,3-ジメチルグルタル酸1-(3β-コレステリル)
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： C34H56O4
Molecular formula furigana： C34-H56-O4
Molecular weight： 528.818
InChI： InChI=1S/C34H56O4/c1-22(2)9-8-10-23(3)27-13-14-28-26-12-11-24-19-25(38-31(37)21-32(4,5)20-30(35)36)15-17-33(24,6)29(26)16-18-34(27,28)7/h11,22-23,25-29H,8-10,12-21H2,1-7H3,(H,35,36)/t23-,25+,26+,27-,28+,29+,33+,34-/m1/s1
InChI key： ANBDMXIMIUVOLA-NVYQQUOZSA-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)OC(=O)CC(C)(C)CC(=O)O
Systematic name  (3)：
  • 3,3-ジメチルグルタル酸1-(3β-コレステリル)
  • 5-{[(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}-3,3-ジメチル-5-オキソペンタン酸
  • 5-{[(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}-3,3-dimethyl-5-oxopentanoic acid
Other name (1)：
  • 3,3-Dimethylglutaric acid 1-(3β-cholesteryl) ester
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