Chem
J-GLOBAL ID：201307073996352544   Nikkaji number：J3.214.647C

3α,12α-Dihydroxy-27-nor-5β-cholestane-26-nitrile

3α,12α-ジヒドロキシ-27-ノル-5β-コレスタン-26-ニトリル
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： C26H43NO2
Molecular formula furigana： C26-H43-N-O2
Molecular weight： 401.635
InChI： InChI=1S/C26H43NO2/c1-17(7-5-4-6-14-27)21-10-11-22-20-9-8-18-15-19(28)12-13-25(18,2)23(20)16-24(29)26(21,22)3/h17-24,28-29H,4-13,15-16H2,1-3H3/t17-,18-,19-,20+,21-,22+,23+,24+,25+,26-/m1/s1
InChI key： BXBROYWMDSQQDH-VDWIOFMPSA-N
SMILES： C[C@H](CCCCC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 3α,12α-ジヒドロキシ-27-ノル-5β-コレスタン-26-ニトリル
  • (6R)-6-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ヘプタンニトリル
  • (6R)-6-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]heptanenitrile
Other name (1)：
  • 3α,12α-Dihydroxy-27-nor-5β-cholestane-26-nitrile
Thsaurus map：
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