[2-[(8S,9R,10S,11S,13S,14S,16R,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] Pyridine-4-Carboxylate
[CAS# 68402-70-0]

Identification

• Name: [2-[(8S,9R,10S,11S,13S,14S,16R,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] Pyridine-4-Carboxylate
• Synonyms: [2-[(8S,9R,10S,11S,13S,14S,16R,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] Pyridine-4-Carboxylate; 4-Pyridinecarboxylic Acid [2-[(8S,9R,10S,11S,13S,14S,16R,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] Ester; Isonicotinic Acid [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₈H₃₂FNO₆
• Molecular Weight: 497.56
• CAS Registry Number: 68402-70-0
• SMILES: [C@H]35[C@H]2[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@@H](O)C[C@@]3([C@](C(COC(C4=CC=NC=C4)=O)=O)(O)[C@@H](C5)C)C)F
• InChI: 1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1
• InChIKey: BQTXJHAJMDGOFI-NJLPOHDGSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 675.964°C at 760 mmHg (Cal.)
• Flash point: 362.61°C (Cal.)