16-Hydroxyestrone
[CAS# 18186-49-7]

Identification

• Name: 16-Hydroxyestrone
• Synonyms: Estra-1,3,5(10)-Trien-17-One, 3,16-Dihydroxy-; 16-Hydroxyestrone; 16Beta-Hydroxyestrone
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 18186-49-7
• 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/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,18+/m1/s1
• InChIKey: WPOCIZJTELRQMF-DIQFNYNJSA-N

Properties

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