16-Methylhydrocortisone
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 16-Methylhydrocortisone|11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione|11alpha,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione|(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22498 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.22498 |
| Monoisotopic Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 2294-17-9 |
|---|---|
| SMILES | CC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C |
| InChIKey | ZCAYUOKEIPMTMF-SRYLXOBDSA-N |
Product Overview
16-Methylhydrocortisone (CAS 2294-17-9), with molecular formula C22H32O5 and molecular weight 376.22498 g/mol. IUPAC: (8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
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