Estradiol-2,3-o-Quinone
[CAS# 42261-16-5]

Identification

• Name: Estradiol-2,3-o-Quinone
• Synonyms: (8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2,3-Quinone; Estradiol-2,3-Quinone; Ecs
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 42261-16-5
• SMILES: [C@@H]23C1=CC(C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)=O)=O
• InChI: 1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
• InChIKey: LBSRSXWOMYPVBY-XSSYPUMDSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 483.427°C at 760 mmHg (Cal.)
• Flash point: 260.273°C (Cal.)