Chem
J-GLOBAL ID：200907072675304816   Nikkaji number：J45.856B

Cholestane

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： C27H48
Molecular formula furigana： C27-H48
Molecular weight： 372.681
InChI： InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： XIIAYQZJNBULGD-LDHZKLTISA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • コレスタン
  • 5ξ-コレスタン
  • (1R,3aS,3bR,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
  • (1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene
Other name (2)：
  • Cholestane
  • 5ξ-Cholestane
CAS registry number： 14982-53-7
Regulation number (1)：
  • EINECS2390620
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