6beta-Fluoro-3beta,5alpha,17-Trihydroxy-16alpha-Methylpregnan-20-One 3-Acetate
[CAS# 1525-77-5]

Identification

• Name: 6beta-Fluoro-3beta,5alpha,17-Trihydroxy-16alpha-Methylpregnan-20-One 3-Acetate
• Synonyms: Acetic Acid [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-Acetyl-6-Fluoro-5,17-Dihydroxy-10,13,16-Trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-Ethanoyl-6-Fluoro-5,17-Dihydroxy-10,13,16-Trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate; 6Beta-Fluoro-3Beta,5Alpha,17-Trihydroxy-16Alpha-Methylpregnan-20-One 3-Acetate
• Molecular Formula: C₂₄H₃₇FO₅
• Molecular Weight: 424.55
• CAS Registry Number: 1525-77-5
• EINECS: 216-197-3
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@]([C@@H](C1)F)(C[C@@H](OC(=O)C)CC2)O)C)CC3)C[C@H]([C@@]4(C(=O)C)O)C)C
• InChI: 1S/C24H37FO5/c1-13-10-19-17-11-20(25)23(28)12-16(30-15(3)27)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)26/h13,16-20,28-29H,6-12H2,1-5H3/t13-,16+,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1
• InChIKey: NJDYIKQAOCYLKB-MZVKURBCSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 513.004°C at 760 mmHg (Cal.)
• Flash point: 264.056°C (Cal.)