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| Chemical manufacturer since 2002 | ||||
| Name | 1,3,5(10)-Estratrien-3,17-beta-Diol-16-One |
|---|---|
| Synonyms | 16-Ketoestradiol; 16-Oxo-17Beta-Estradiol; C14383 |
| Molecular Structure |  |
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.37 |
| CAS Registry Number | 566-75-6 |
| SMILES | [C@@]14(C)[C@H]([C@H]3[C@H](CC1)C2=CC=C(C=C2CC3)O)CC([C@@H]4O)=O |
| InChI | 1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1 |
| InChIKey | KJDGFQJCHFJTRH-YONAWACDSA-N |
| Density | 1.25g/cm3 (Cal.) |
|---|---|
| Boiling point | 493.175°C at 760 mmHg (Cal.) |
| Flash point | 266.162°C (Cal.) |
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