(16beta,17alpha)-Estra-1,3,5(10)-triene-3,16,17-triol
[CAS# 793-89-5]

Identification

• Name: (16beta,17alpha)-Estra-1,3,5(10)-triene-3,16,17-triol
• Molecular Formula: C₁₈H₂₄O₃
• Molecular Weight: 288.38
• CAS Registry Number: 793-89-5
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O
• InChI: 1S/C18H24O3/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/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18+/m1/s1
• InChIKey: PROQIPRRNZUXQM-LMMHAMTPSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 469.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 220.8±23.3°C (Cal.)