Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17beta-ol
[CAS# 131077-42-4]

Identification

• Name: Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17beta-ol
• Synonyms: Benz(3,4)-6-Oxaestra-1,3,5(10),8-Tetraen-17-Ol; Benz(3,4)-6-Oxaestra-1,3,5(10),8-Tetraen-17Beta-Ol
• Molecular Formula: C₂₁H₂₂O₂
• Molecular Weight: 306.40
• CAS Registry Number: 131077-42-4
• SMILES: [C@H]12[C@@](C(O)CC1)(CCC3=C2COC4=C3C=CC5=C4C=CC=C5)C
• InChI: 1S/C21H22O2/c1-21-11-10-15-16-7-6-13-4-2-3-5-14(13)20(16)23-12-17(15)18(21)8-9-19(21)22/h2-7,18-19,22H,8-12H2,1H3/t18-,19?,21-/m0/s1
• InChIKey: UCCZYWCDXDHOKZ-GCSLORGYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 499.092°C at 760 mmHg (Cal.)
• Flash point: 235.907°C (Cal.)