Estra-1,3,5(10),6-Tetraene-3,17-Diol
[CAS# 7291-41-0]

Identification

• Name: Estra-1,3,5(10),6-Tetraene-3,17-Diol
• Synonyms: Estra-1,3,5(10),6-Tetraen-3,17Beta-Diol; Nsc57430; 6-Dehydroestradiol
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.37
• CAS Registry Number: 7291-41-0
• SMILES: [C@@H]1(O)[C@@]2([C@@H](CC1)[C@H]4[C@H](CC2)C3=C(C=C(C=C3)O)C=C4)C
• InChI: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
• InChIKey: VVLCELUSWGWMSW-ZBRFXRBCSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 455.119°C at 760 mmHg (Cal.)
• Flash point: 215.695°C (Cal.)