3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
[(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: KST-1A8540|3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate|J2.791.423C|[(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate|(16|A,17|A)-16-hydroxy-3-methoxy-16-methylestra-1,3,5(10)-trien-17-yl acetate|16-Hydroxy-3-methoxy-16-methylestra-1(10),2,4-trien-17-yl acetate|16beta-Hydroxy-3-methoxy-16alpha-methylestra-1(10),2,4-trien-17beta-yl acetate|(1R,2S,3aS,3bR,9bS,11aS)-2-hydroxy-7-methoxy-2,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21442 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Monoisotopic Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 84-70-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@]1(C)O)CCC4=C3C=CC(=C4)OC)C |
| InChIKey | AQYZEWWPIBKYCF-BTOHRNCKSA-N |
Product Overview
3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate (CAS 84-70-8), with molecular formula C22H30O4 and molecular weight 358.21442 g/mol. IUPAC: [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.