[2-[(8S,9R,10S,11S,13S,14S,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] 2-diethylaminoacetate hydrochloride
[CAS# 94237-33-9]

Identification

• Name: [2-[(8S,9R,10S,11S,13S,14S,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] 2-diethylaminoacetate hydrochloride
• Synonyms: (11β,16β)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride
• Molecular Formula: C₂₈H₄₁ClFNO₆
• Molecular Weight: 542.08
• CAS Registry Number: 94237-33-9
• EINECS: 304-129-6
• SMILES: Cl.CCN(CC)CC(=O)OCC(=O)[C@@]4(O)[C@@H](C)C[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C
• InChI: 1S/C28H40FNO6.ClH/c1-6-30(7-2)15-24(34)36-16-23(33)28(35)17(3)12-21-20-9-8-18-13-19(31)10-11-25(18,4)27(20,29)22(32)14-26(21,28)5;/h10-11,13,17,20-22,32,35H,6-9,12,14-16H2,1-5H3;1H/t17-,20-,21-,22-,25-,26-,27-,28-;/m0./s1
• InChIKey: CBMIUTGJPQBPAV-OZJKAIRQSA-N

Properties

• Boiling point: 651.3°C at 760 mmHg (Cal.)
• Flash point: 347.7°C (Cal.)