Chem
J-GLOBAL ID：200907048503220175   Nikkaji number：J1.166.041J

3,3-Dimethoxy-5β-cholestane

3,3-ジメトキシ-5β-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： C29H52O2
Molecular formula furigana： C29-H52-O2
Molecular weight： 432.733
InChI： InChI=1S/C29H52O2/c1-20(2)9-8-10-21(3)24-13-14-25-23-12-11-22-19-29(30-6,31-7)18-17-27(22,4)26(23)15-16-28(24,25)5/h20-26H,8-19H2,1-7H3/t21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChI key： GAQBBTSXSYYOIK-SMIFZSHHSA-N
SMILES： COC1(CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)OC
Systematic name  (3)：
  • 3,3-ジメトキシ-5β-コレスタン
  • (1R,3aS,3bR,5aR,9aS,9bS,11aR)-7,7-ジメトキシ-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,5aR,9aS,9bS,11aR)-7,7-dimethoxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene
Other name (1)：
  • 3,3-Dimethoxy-5β-cholestane
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