(11B,16A)-21-(3-Carboxy-1-Oxopropoxy)-9-Fluoro-11,17-Dihydroxy-16-Methyl-Pregna-1,4-Diene-3,20-Dione
[CAS# 3800-86-0]

Identification

• Name: (11B,16A)-21-(3-Carboxy-1-Oxopropoxy)-9-Fluoro-11,17-Dihydroxy-16-Methyl-Pregna-1,4-Diene-3,20-Dione
• Synonyms: 4-[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-Ethoxy]-4-Oxo-Butanoic Acid; 4-[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-Ethoxy]-4-Keto-Butyric Acid; Nsc37630
• Molecular Formula: C₂₆H₃₃FO₈
• Molecular Weight: 492.54
• CAS Registry Number: 3800-86-0
• SMILES: [C@]34([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]([C@@]4(C(COC(CCC(O)=O)=O)=O)O)C)C
• InChI: 1S/C26H33FO8/c1-14-10-18-17-5-4-15-11-16(28)8-9-23(15,2)25(17,27)19(29)12-24(18,3)26(14,34)20(30)13-35-22(33)7-6-21(31)32/h8-9,11,14,17-19,29,34H,4-7,10,12-13H2,1-3H3,(H,31,32)/t14-,17+,18+,19+,23+,24+,25+,26+/m1/s1
• InChIKey: IEKLVCVEJCEIJD-LYRWTKHRSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 686.013°C at 760 mmHg (Cal.)
• Flash point: 368.688°C (Cal.)