Stizophyllin
1-[(2R,3R,10R,12R,13S,14S)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Stizophyllin|2,3,12-Trihydroxypregna-4,7,16-trien-20-one|2-alpha,3-beta,12-beta-Trihydroxypregna-4,7,16-trien-20-one|1-[(2R,3R,10R,12R,13S,14S)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone|Pregna-4,7,16-trien-20-one, 2-alpha,3-beta,12-beta-trihydroxy-|(9xi)-2alpha,3beta,12beta-Trihydroxypregna-4,7,16-trien-20-one
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.19876 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 717.4 |
Chemical Identifiers
| CAS Number | 109237-00-5 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1([C@@H](CC3C2=CCC4=C[C@H]([C@@H](C[C@]34C)O)O)O)C |
Product Overview
Stizophyllin (CAS 109237-00-5), with molecular formula C21H28O4 and molecular weight 344.19876 g/mol. IUPAC: 1-[(2R,3R,10R,12R,13S,14S)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
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