3-Hydroxy-9 beta-Estra-1,3,5(10)-Triene-11,17-Dione
[CAS# 7533-97-3]

Identification

• Name: 3-Hydroxy-9 beta-Estra-1,3,5(10)-Triene-11,17-Dione
• Synonyms: (8S,9S,13S,14S)-3-Hydroxy-13-Methyl-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthrene-11,17-Quinone; 3-Hydroxy-9 Beta-Estra-1,3,5(10)-Triene-11,17-Dione; Estra-1,3,5(10)-Triene-11,17-Dione, 3-Hydroxy-, (9 Beta)-
• Molecular Formula: C₁₈H₂₀O₃
• Molecular Weight: 284.35
• CAS Registry Number: 7533-97-3
• SMILES: [C@H]23[C@@H](C1=C(C=C(O)C=C1)CC2)C(C[C@]4([C@H]3CCC4=O)C)=O
• InChI: 1S/C18H20O3/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/h3,5,8,13-14,17,19H,2,4,6-7,9H2,1H3/t13-,14-,17+,18-/m0/s1
• InChIKey: WKUQOYYYFVBROI-ZZCKCESHSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 493.404°C at 760 mmHg (Cal.)
• Flash point: 266.301°C (Cal.)