Chem
J-GLOBAL ID：200907075636620548   Nikkaji number：J923.261C

3β-Doxyl-5α-cholestane

3β-ドキシル-5α-コレスタン
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： C32H57NO2
Molecular formula furigana： C32-H57-N-O2
Molecular weight： 487.813
InChI： InChI=1S/C32H57NO2/c1-22(2)9-8-10-23(3)27-13-14-28-26-12-11-24-19-25(35-33-21-34-20-30(33,4)5)15-17-31(24,6)29(26)16-18-32(27,28)7/h22-29H,8-21H2,1-7H3/t23-,24+,25+,26+,27-,28+,29+,31+,32-/m1/s1
InChI key： UEKSHHIWJOOOCM-ZVZGDOHKSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)ON1COCC1(C)C
Systematic name  (3)：
  • 3β-[(4,4-ジメチルオキサゾリジン-3-イル)オキシ]-5α-コレスタン
  • 3-{[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-4,4-ジメチル-1,3-オキサゾリジン
  • 3-{[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,4-dimethyl-1,3-oxazolidine
Other name (4)：
  • 3β-ドキシル-5α-コレスタン
  • 3β-Doxyl-5α-cholestane
  • 3β-[(4,4-Dimethyloxazolidin-3-yl)oxy]-5α-cholestane
  • 3β-DOXYL-5α-cholestane
Thsaurus map：
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