Rofleponide
[CAS# 144459-70-1]

Identification

• Name: Rofleponide
• Synonyms: Rofleponide [Inn]; 6 Alpha, 9-Difluoro-11 Beta, 16 Alpha, 17,21-Tetrahydroxypregn-4-Ene-3,20-Dione, Cyclic (R)-16,17-Acetal With Butyraldehyde.
• Molecular Formula: C₂₅H₃₄F₂O₆
• Molecular Weight: 468.54
• CAS Registry Number: 144459-70-1
• SMILES: [C@H]23[C@@]([C@@]1(O[C@@H](O[C@@H]1C2)CCC)C(=O)CO)(C[C@H](O)[C@@]4(F)[C@H]3C[C@H](F)C5=CC(=O)CC[C@]45C)C
• InChI: 1S/C25H34F2O6/c1-4-5-21-32-20-10-14-15-9-17(26)16-8-13(29)6-7-22(16,2)24(15,27)18(30)11-23(14,3)25(20,33-21)19(31)12-28/h8,14-15,17-18,20-21,28,30H,4-7,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21+,22-,23-,24-,25+/m0/s1
• InChIKey: IXTCZMJQGGONPY-XJAYAHQCSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 597.03°C at 760 mmHg (Cal.)
• Flash point: 314.873°C (Cal.)