Chem
J-GLOBAL ID：200907083988565957   Nikkaji number：J2.528.320A

[2-Oxo-2-(3β-cholesteryloxy)ethoxy]acetic acid

[2-オキソ-2-(3β-コレステリルオキシ)エトキシ]酢酸
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： C31H50O5
Molecular formula furigana： C31-H50-O5
Molecular weight： 502.736
InChI： InChI=1S/C31H50O5/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-23(36-29(34)19-35-18-28(32)33)13-15-30(22,4)27(24)14-16-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChI key： YYNWUYARKNCWPZ-MIXBDBMTSA-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)COCC(=O)O
Systematic name  (3)：
  • [2-オキソ-2-(3β-コレステリルオキシ)エトキシ]酢酸
  • 2-(2-{[(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}-2-オキソエトキシ)酢酸
  • 2-(2-{[(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}-2-oxoethoxy)acetic acid
Other name (1)：
  • [2-Oxo-2-(3β-cholesteryloxy)ethoxy]acetic acid
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