3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one
1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: EINECS 216-658-9|3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one|CDS1_000802|3,11,17-Trihydroxy-16-methylpregnan-20-one|A,11|A,17-Trihydroxy-16|A-methyl-5|A-pregnan-20-on|A,11|A,17-trihydroxy-16|A-methyl-5|A-pregnan-20-one|5alpha-Pregnan-20-one, 3beta,11alpha,17-trihydroxy-16alpha-methyl-|1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone|Pregnan-20-one, 3,11,17-trihydroxy-16-methyl-, (3beta,5alpha,11alpha,16alpha)-|1-[(1R,2R,3aS,3bS,5aS,7S,9aS,9bS,10R,11aS)-1,7,10-trihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
| Molecular Formula | C22H36O4 |
|---|---|
| Molecular Weight | 364.26135 g/mol |
| LogP | 2.93 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.26135 |
| Heavy Atoms | 26 |
| Complexity | 604.9 |
Chemical Identifiers
| CAS Number | 1635-20-7 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)O |
Product Overview
3beta,11alpha,17-Trihydroxy-16alpha-methyl-5alpha-pregnan-20-one (CAS 1635-20-7), with molecular formula C22H36O4 and molecular weight 364.26135 g/mol. IUPAC: 1-[(3S,5S,8S,9S,10S,11R,13S,14S,16R,17R)-3,11,17-trihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
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