(16alpha,17beta)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol
(8R,9S,13S,14S,16R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: 2-Methoxyestriol|2-Meoe3|2ME-BM cpd|2-methoxyestriol-bis-sulphamate|2-methoxyestriol-bis-sulfamate|2-methoxyoestradiol-bis-sulphamate|KST-1A3819|(8R,9S,13S,14S,16R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol|(16|A,17|A)-2-methoxyestra-1,3,5(10)-triene-3,16,17-triol|1,3,5(10)-ESTRATRIEN-2,3,16alpha,17beta-TETROL 2-METHYL ETHER|2-Methoxyestra-1(10),2,4-triene-3,16,17-triol|2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol #|2-Methoxy-1,3,5(10)-estratriene-3,16alpha,17beta-triol|2-Methoxyestra-1(10),2,4-triene-3,16alpha,17beta-triol|Estra-1,3,5(10)-triene-3,16,17-triol, 2-methoxy-, (16alpha,17beta)-|Estra-1,3,5(10)-triene-3,16,17-triol, 2-methoxy-, (16.alpha.,17.beta.)-|(16alpha,17beta)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol|(1R,2R,3aS,3bR,9bS,11aS)-8-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.1831 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 1236-72-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=CC(=C(C=C34)OC)O |
Product Overview
(16alpha,17beta)-2-Methoxyestra-1,3,5(10)-triene-3,16,17-triol (CAS 1236-72-2), with molecular formula C19H26O4 and molecular weight 318.1831 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
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