Pachysamine A
(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
Also Known As: Pachysamine A|N~3~,N~20~,N~20~-Trimethylpregnane-3,20-diamine|(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine|(20S)-N,N ,N -Trimethyl-5alpha-pregnane-3alpha,20-diamine|5-alpha-Pregnane-3-alpha,20-alpha-diamine, N(sup 3),N(sup 20),N(sup 20)-trimethyl-|(20S)-N~3~,N~20~,N~20~-Trimethyl-5alpha-pregnane-3alpha,20-diamine|(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-N,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-amine|(3R,5S,8R,9S,10S,13S,14S,17S)-17-((1S)-1-(dimethylamino)ethyl)-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-amine
| Molecular Formula | C24H44N2 |
|---|---|
| Molecular Weight | 360.35046 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.35046 |
| Monoisotopic Mass | 360.35046 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 6801-29-2 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC)C)C)N(C)C |
| InChIKey | NLOJUKSOUNWUSW-HLSPMNIASA-N |
Product Overview
Pachysamine A (CAS 6801-29-2), with molecular formula C24H44N2 and molecular weight 360.35046 g/mol. IUPAC: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine.