(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-17-(2-Fluoroacetyl)-11,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 472-24-2]

Identification

• Name: (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-17-(2-Fluoroacetyl)-11,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-17-(2-Fluoro-1-Oxoethyl)-11,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-17-(2-Fluoroethanoyl)-11,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; Nsc22845
• Molecular Formula: C₂₁H₂₈F₂O₄
• Molecular Weight: 382.45
• CAS Registry Number: 472-24-2
• SMILES: [C@]4([C@@]1([C@H]([C@H]3[C@](F)([C@@H](O)C1)[C@]2(C)C(=CC(CC2)=O)CC3)CC4)C)(O)C(CF)=O
• InChI: 1S/C21H28F2O4/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-22)19(14,2)10-16(25)21(15,18)23/h9,14-16,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
• InChIKey: HMQHDCRSYKWXAA-BULBTXNYSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 536.401°C at 760 mmHg (Cal.)
• Flash point: 278.205°C (Cal.)