Chem
J-GLOBAL ID：200907064250841599   Nikkaji number：J366.698K

1,1′-[3,17-Diacetoxyandrostane-2,16-diyl]bis[1-methylpiperidinium]

1,1′-[3,17-ジアセトキシアンドロスタン-2,16-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： C35H60[N+]2O4
Molecular formula furigana： C35-H60-N2-O4
Molecular weight： 572.874
InChI： InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26?,27-,28+,29+,30?,31?,32?,33?,34+,35+/m1/s1
InChI key： GVEAYVLWDAFXET-LXPDLEMTSA-N
SMILES： CC(=O)OC1C(C[C@H]2[C@@H]3CCC4CC(OC(=O)C)C(C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
Systematic name  (3)：
  • 1,1′-[3,17-ジアセトキシアンドロスタン-2,16-ジイル]ビス[1-メチルピペリジニウム]
  • 1-[(3aS,3bR,9aS,9bS,11aS)-1,7-ビス(アセチルオキシ)-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-[(3aS,3bR,9aS,9bS,11aS)-1,7-bis(acetyloxy)-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′-[3,17-Diacetoxyandrostane-2,16-diyl]bis[1-methylpiperidinium]
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