17-Iodovinylestradiol-3-methyl ether
(8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: IVEME|17-Iodovinylestradiol-3-methyl ether|17alpha-(125I)Iodovinylestradiol-3-methyl ether|19-Norpregna-1,3,5(10),20-tetraen-17-ol, 21-(iodo-125I)-3-methoxy-, (17alpha,20E)-|(8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol|(8R,9S,13S,14S)-17-[(E)-2-iodanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
| Molecular Formula | C21H27IO2 |
|---|---|
| Molecular Weight | 436.10574 g/mol |
| LogP | 5.2311 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.10574 |
| Monoisotopic Mass | 436.10574 |
| Heavy Atoms | 24 |
| Complexity | 669.8026 |
Chemical Identifiers
| CAS Number | 85549-75-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(/C=C/[125I])O)CCC4=C3C=CC(=C4)OC |
Product Overview
17-Iodovinylestradiol-3-methyl ether (CAS 85549-75-3), with molecular formula C21H27IO2 and molecular weight 436.10574 g/mol. IUPAC: (8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.