Estr-9-en-3-one
11'-[4-(dimethylamino)phenyl]-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
Also Known As: Estr-9-en-3-one|(5R,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1 -propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyc lopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol|11'-(4-dimethylaminophenyl)-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol|11beta-[(4-N,N-dimethylamino)phenyl)]-17Alpha-(propyn-1-ynyl)-3,3-ethylendioxy-estra-9-en-5Alpha,17beta-diol
| Molecular Formula | C31H41NO4 |
|---|---|
| Molecular Weight | 491.30356 g/mol |
| LogP | 4.7753 |
| Topological Polar Surface Area | 62.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.30356 |
| Monoisotopic Mass | 491.30356 |
| Heavy Atoms | 36 |
| Complexity | 1123.47 |
Chemical Identifiers
| CAS Number | 84371-64-2 |
|---|---|
| SMILES | CC#CC1(CCC2C1(CC(C3=C4CCC5(CC4(CCC23)O)OCCO5)C6=CC=C(C=C6)N(C)C)C)O |
Product Overview
Estr-9-en-3-one (CAS 84371-64-2), with molecular formula C31H41NO4 and molecular weight 491.30356 g/mol. IUPAC: 11'-[4-(dimethylamino)phenyl]-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol.
Estr-9-en-3-one is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »