AC1L42MA
(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
Also Known As: 16,28-Secosolanidan-4-one, 3,23-dihydroxy-, (3beta,5alpha,22alpha,23beta,25beta)-|3-Hydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one|(17R,20S)-3beta-Hydroxy-20-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]-5alpha-pregnan-4-one|(3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.33994 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.33994 |
| Monoisotopic Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 89945-96-0 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5=O)O)C)C)O |
| InChIKey | XDHPRTNJRMRDCF-SJRFAFKCSA-N |
Product Overview
AC1L42MA (CAS 89945-96-0), with molecular formula C27H45NO3 and molecular weight 431.33994 g/mol. IUPAC: (3S,5R,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one.
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