(3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6,7,7,7-Tetrafluoro-6-(Trifluoromethyl)Heptan-2-Yl]-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
[CAS# 153463-20-8]

Identification

• Name: (3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6,7,7,7-Tetrafluoro-6-(Trifluoromethyl)Heptan-2-Yl]-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
• Synonyms: (3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(1R)-5,6,6,6-Tetrafluoro-1-Methyl-5-(Trifluoromethyl)Hexyl]-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; 25,26,26,26,27,27,27-Heptafluoro-3-Hydroxycholest-8(14)-En-15-One (3Beta,5Alpha)-; 3-Hhceo
• Molecular Formula: C₂₇H₃₇F₇O₂
• Molecular Weight: 526.58
• CAS Registry Number: 153463-20-8
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCCC(F)(C(F)(F)F)C(F)(F)F)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C27H37F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)20-14-21(36)22-18-7-6-16-13-17(35)8-11-23(16,2)19(18)9-12-24(20,22)3/h15-17,19-20,35H,4-14H2,1-3H3/t15-,16+,17+,19+,20-,23+,24-/m1/s1
• InChIKey: CBABDIQZPIMJTP-HSZKHUOXSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 499.082°C at 760 mmHg (Cal.)
• Flash point: 255.636°C (Cal.)