(6S,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-17-Hydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 378-59-6]

Identification

• Name: (6S,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-17-Hydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-17-Glycoloyl-17-Hydroxy-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8R,9S,10R,13S,14S,16R,17R)-6-Fluoro-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₃₁FO₄
• Molecular Weight: 378.48
• CAS Registry Number: 378-59-6
• EINECS: 206-827-5
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@@H](F)C2)C)CC[C@@]3([C@](O)([C@@H](C4)C)C(=O)CO)C
• InChI: 1S/C22H31FO4/c1-12-8-16-14-10-18(23)17-9-13(25)4-6-20(17,2)15(14)5-7-21(16,3)22(12,27)19(26)11-24/h9,12,14-16,18,24,27H,4-8,10-11H2,1-3H3/t12-,14-,15+,16+,18+,20-,21+,22+/m1/s1
• InChIKey: OWHJNSYSENMCSN-QPUULIFRSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 529.813°C at 760 mmHg (Cal.)
• Flash point: 274.221°C (Cal.)