1,3,5(10)-Estratrien-3,11-beta-Diol-17-One
[CAS# 6803-21-0]

Identification

• Name: 1,3,5(10)-Estratrien-3,11-beta-Diol-17-One
• Synonyms: Mls000703729; Smr000274094; Eu-0074111
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 6803-21-0
• SMILES: C1=CC(=CC4=C1C3C(C2C(C(=O)CC2)(C)CC3O)CC4)O
• InChI: 1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3
• InChIKey: IGSYRIQHXYIOHU-UHFFFAOYSA-N

Properties

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