Cloxestradiol
[CAS# 54063-33-1]

Identification

• Name: Cloxestradiol
• Synonyms: (8R,9S,13S,14S,17S)-13-Methyl-17-(2,2,2-Trichloro-1-Hydroxy-Ethoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Ol; Cloxestradiol; Cloxestradiol [Inn]
• Molecular Formula: C₂₀H₂₅Cl₃O₃
• Molecular Weight: 419.77
• CAS Registry Number: 54063-33-1
• SMILES: [C@@H]12CC[C@@H]([C@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C)OC(C(Cl)(Cl)Cl)O
• InChI: 1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1
• InChIKey: JVLHMVXGPLKLFV-AJUWMHLFSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 503.753°C at 760 mmHg (Cal.)
• Flash point: 258.461°C (Cal.)