Solacongestidine
(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Solacongestidine|NCI60_041933|(3beta,5alpha,25beta)-16,28-Secosolanid-22(28)-en-3-ol|16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-|(25?)-16,28-Seco-5?-Solanid-22(28)-En-3?-Ol|(25beta)-16,28-Seco-5alpha-solanid-22(28)-en-3beta-ol|20-(5-Methyl-3,4,5,6-tetrahydropyridin-2-yl)pregnan-3-ol|(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol|(20S)-20-[(5R)-5-Methyl-3,4,5,6-tetrahydropyridin-2-yl]-5alpha-pregnan-3beta-ol|(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-[(1S)-1-[(5R)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C27H45NO |
|---|---|
| Molecular Weight | 399.35013 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.35013 |
| Monoisotopic Mass | 399.35013 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 984-82-7 |
|---|---|
| SMILES | C[C@@H]1CCC(=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)C)C |
| InChIKey | MSKAAWFUKWQOQS-YNAJWQGRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Solacongestidine (CAS 984-82-7), with molecular formula C27H45NO and molecular weight 399.35013 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.