Disodium; [2-[(10S,11S,13S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Phosphate; [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Propanoyloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl] Propanoate
[CAS# 76391-71-4]

Identification

• Name: Disodium; [2-[(10S,11S,13S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Phosphate; [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Propanoyloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl] Propanoate
• Synonyms: Disodium; [2-[(10S,11S,13S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Phosphate; [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Propanoyloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Propanoate; Disodium; [2-[(10S,11S,13S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Phosphate; Propanoic Acid [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-[1-Oxo-2-(1-Oxopropoxy)Ethyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₅₀H₆₅F₂Na₂O₁₅P
• Molecular Weight: 1021.00
• CAS Registry Number: 76391-71-4
• SMILES: FC23[C@H]([C@H]1[C@@]([C@](OC(=O)CC)([C@H](C1)C)C(=O)COC(=O)CC)(C[C@@H]2O)C)CCC4=CC(=O)C=C[C@]34C.[C@]78(C(C6C(F)([C@@]5(C(=CC(=O)C=C5)CC6)C)[C@@H](O)C7)C[C@@H]([C@]8(O)C(=O)CO[P]([O-])([O-])=O)C)C.[Na+].[Na+]
• InChI: 1S/C28H37FO7.C22H30FO8P.2Na/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5;1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3;6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;;2*+1/p-2/t16-,19-,20-,21-,25-,26-,27?,28-;12-,15?,16?,17-,19-,20-,21?,22-;;/m00../s1
• InChIKey: MBCPXYZATXSFFS-UZAPQLCGSA-L

Properties

• Boiling point: 603.2°C at 760 mmHg (Cal.)
• Flash point: 318.6°C (Cal.)