2-Chloro-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 59047-08-4]

Identification

• Name: 2-Chloro-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-2-Chloro-6,9-Difluoro-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-Acetoxy-1-Oxoethyl)-2-Chloro-6,9-Difluoro-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-2-Chloro-6,9-Difluoro-11-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₂₉ClF₂O₇
• Molecular Weight: 514.95
• CAS Registry Number: 59047-08-4
• EINECS: 261-573-2
• SMILES: [C@H]24[C@H]1[C@@]([C@](OC(=O)C)(CC1)C(=O)COC(=O)C)(C[C@H](O)[C@]2(F)[C@@]3(C(=CC(=O)C(=C3)Cl)[C@H](F)C4)C)C
• InChI: 1S/C25H29ClF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1
• InChIKey: UMRUFBVWHMUYIH-HKXOFBAYSA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 609.41°C at 760 mmHg (Cal.)
• Flash point: 322.359°C (Cal.)