6b-fluoro-3b,5,17,21-Tetrahydroxy-16a-methyl-5a-Pregnan-20-one 21-acetate
[CAS# 2353-58-4]

Identification

• Name: 6b-fluoro-3b,5,17,21-Tetrahydroxy-16a-methyl-5a-Pregnan-20-one 21-acetate
• Synonyms: [2-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-3,5,17-Trihydroxy-10,13,16-Trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-3,5,17-Trihydroxy-10,13,16-Trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-3,5,17-Trihydroxy-10,13,16-Trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₄H₃₇FO₆
• Molecular Weight: 440.55
• CAS Registry Number: 2353-58-4
• EINECS: 219-092-0
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@]([C@@H](C1)F)(C[C@H](CC2)O)O)C)CC3)C[C@H]([C@@]4(C(COC(=O)C)=O)O)C)C
• InChI: 1S/C24H37FO6/c1-13-9-18-16-10-19(25)23(29)11-15(27)5-7-21(23,3)17(16)6-8-22(18,4)24(13,30)20(28)12-31-14(2)26/h13,15-19,27,29-30H,5-12H2,1-4H3/t13-,15+,16-,17+,18+,19-,21-,22+,23+,24+/m1/s1
• InChIKey: KQTAJQABUFCAQB-HRXZAKAYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 562.851°C at 760 mmHg (Cal.)
• Flash point: 294.202°C (Cal.)