2,4-Dihydroxyestrone
(8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2,4-Dihydroxyestrone|2,4-Dihydroxyoestron|2,3,4-trihydroxyestra-1(10),2,4-trien-17-one|J3.037.841E|Estra-1,3,5(10)-trien-17-one, 2,3,4-trihydroxy-|2,3,4-Trihydroxyestra-1,3,5(10)-triene-17-one|(8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|(3aS,3bR,9bS,11aS)-6,7,8-trihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one|2,3,4-Trihydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.1518 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1518 |
| Monoisotopic Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 5425-33-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)O)O)O |
| InChIKey | JHMKRVZOGMNBGV-HIONPOMWSA-N |
Product Overview
2,4-Dihydroxyestrone (CAS 5425-33-2), with molecular formula C18H22O4 and molecular weight 302.1518 g/mol. IUPAC: (8R,9S,13S,14S)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
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