1,5(10)-Estradiene-3,4,17-Trione
[CAS# 40551-34-6]

Identification

• Name: 1,5(10)-Estradiene-3,4,17-Trione
• Synonyms: 1,5(10)-Estradiene-3,4,17-Trione; 1,5(10)Estradiene-3,14,17-Trione; 3,4-Estrone Quinone
• Molecular Formula: C₁₈H₂₀O₃
• Molecular Weight: 284.35
• CAS Registry Number: 40551-34-6
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=C(CC3)C(=O)C(=O)C=C4)C
• InChI: 1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
• InChIKey: REMSDZFYMQQJFD-QDTBLXIISA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 471.929°C at 760 mmHg (Cal.)
• Flash point: 205.374°C (Cal.)