1,3,5(10)-Estratrien-3,17-beta-Diol-16-One
[CAS# 566-75-6]

Identification

• Name: 1,3,5(10)-Estratrien-3,17-beta-Diol-16-One
• Synonyms: 16-Ketoestradiol; 16-Oxo-17Beta-Estradiol; C14383
• 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

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 493.175°C at 760 mmHg (Cal.)
• Flash point: 266.162°C (Cal.)