Chem
J-GLOBAL ID：200907018232784888   Nikkaji number：J2.327.507D

1,1′-(3α,17β-Dihydroxy-5α-androstane-2β,16β-diyl)bis(1-methylpiperidinium)

1,1′-(3α,17β-ジヒドロキシ-5α-アンドロスタン-2β,16β-ジイル)ビス(1-メチルピペリジニウム)
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： C31H56[N+]2O2
Molecular formula furigana： C31-H56-N2-O2
Molecular weight： 488.800
InChI： InChI=1S/C31H56N2O2/c1-30-14-13-24-23(25(30)20-26(29(30)35)32(3)15-7-5-8-16-32)12-11-22-19-28(34)27(21-31(22,24)2)33(4)17-9-6-10-18-33/h22-29,34-35H,5-21H2,1-4H3/q+2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChI key： LPXWONMTBVUBHC-OBIZLECESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)[N+]3(C)CCCCC3)[C@@H]1C[C@@H]([C@@H]2O)[N+]1(C)CCCCC1
Systematic name  (3)：
  • 1,1′-(3α,17β-ジヒドロキシ-5α-アンドロスタン-2β,16β-ジイル)ビス(1-メチルピペリジニウム)
  • 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-ジヒドロキシ-9a,11a-ジメチル-2-(1-メチルピペリジン-1-イウム-1-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-8-イル]-1-メチルピペリジン-1-イウム
  • 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-8-yl]-1-methylpiperidin-1-ium
Other name (1)：
  • 1,1′-(3α,17β-Dihydroxy-5α-androstane-2β,16β-diyl)bis(1-methylpiperidinium)
Thsaurus map：
Thesaurus Map

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