1,3,5(10)-Estratrien-3-Ol-16,17-Dione
[CAS# 1228-73-5]

Identification

• Name: 1,3,5(10)-Estratrien-3-Ol-16,17-Dione
• Synonyms: (8R,9S,13S,14S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthrene-16,17-Quinone; C14441; 16-Ketoestrone
• Molecular Formula: C₁₈H₂₀O₃
• Molecular Weight: 284.35
• CAS Registry Number: 1228-73-5
• SMILES: [C@H]34[C@H]2[C@@H](C1=C(C=C(O)C=C1)CC2)CC[C@@]3(C(=O)C(C4)=O)C
• InChI: 1S/C18H20O3/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/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1
• InChIKey: ANPHVANSJXDRTP-BSXFFOKHSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 472.875°C at 760 mmHg (Cal.)
• Flash point: 253.899°C (Cal.)