Estra-1,3,5,7,9-Pentaene-3,17beta-Diol
[CAS# 1423-97-8]

Identification

• Name: Estra-1,3,5,7,9-Pentaene-3,17beta-Diol
• Synonyms: Beta-Dihydroequilenin; Beta-Dihydroequilenina [Spanish]; Beta-Estra-1,3,5,7,9-Pentaen-3,17-Diol
• Molecular Formula: C₁₈H₂₀O₂
• Molecular Weight: 268.35
• CAS Registry Number: 1423-97-8
• EINECS: 215-835-8
• SMILES: [C@H]12[C@@]([C@@H](O)CC1)(CCC3=C4C(=CC=C23)C=C(O)C=C4)C
• InChI: 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17-,18-/m0/s1
• InChIKey: RYWZPRVUQHMJFF-BZSNNMDCSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 472.468°C at 760 mmHg (Cal.)
• Flash point: 226.128°C (Cal.)