Methyl (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-16-Carboxylate
[CAS# 152596-59-3]

Identification

• Name: Methyl (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[a]Phenanthrene-16-Carboxylate
• Synonyms: (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylic Acid Methyl Ester; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-17-Glycoloyl-11-Hydroxy-3-Keto-10,13-Dimethyl-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylic Acid Methyl Ester; Methyl (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15,16,17-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylate
• Molecular Formula: C₂₃H₂₉FO₆
• Molecular Weight: 420.48
• CAS Registry Number: 152596-59-3
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@]([C@@H](O)C1)([C@]2(C)C(=CC(=O)C=C2)CC3)F)C[C@H]([C@@H]4C(CO)=O)C(OC)=O
• InChI: 1S/C23H29FO6/c1-21-10-18(28)23(24)15(5-4-12-8-13(26)6-7-22(12,23)2)16(21)9-14(20(29)30-3)19(21)17(27)11-25/h6-8,14-16,18-19,25,28H,4-5,9-11H2,1-3H3/t14-,15+,16+,18+,19-,21+,22+,23+/m1/s1
• InChIKey: KXYYKWWWSUCLLN-DWOUKENQSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 570.93°C at 760 mmHg (Cal.)
• Flash point: 299.088°C (Cal.)