RefChem:349097

(3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]indol-1-ium iodide

Also Known As: 3-Azonia-A-norcholest-3(5)-ene, 3-methyl-, iodide|Indeno(5,4-e)indolium, 2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydro-1,3a,5a-trimethyl-6-octyl-, iodide|(3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-Trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydroindeno[5,4-e]indol-1-ium iodide|(3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]indol-1-ium iodide|1,3a,5a-Trimethyl-6-(6-methylheptan-2-yl)-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydroindeno[5,4-e]indol-1-ium iodide

Molecular Formula	C26H46IN
Molecular Weight	499.2675 g/mol
LogP	3.7986
Topological Polar Surface Area	3.01 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	0
Rotatable Bonds	5
Exact Mass	499.2675
Monoisotopic Mass	499.2675
Heavy Atoms	28
Complexity	595.24023

Chemical Identifiers

CAS Number	58347-74-3
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=[N+](CC[C@]34C)C)C.[I-]