(6S,8S,9S,10R,11S,13S,14S,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 1053-58-3]

Identification

• Name: (6S,8S,9S,10R,11S,13S,14S,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,8S,9S,10R,11S,13S,14S,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8S,9S,10R,11S,13S,14S,17R)-6-Fluoro-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8S,9S,10R,11S,13S,14S,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₉FO₅
• Molecular Weight: 380.46
• CAS Registry Number: 1053-58-3
• SMILES: [C@@]1(O)(C(CO)=O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]3[C@H]2C[C@H](F)C4=CC(=O)CC[C@]34C
• InChI: 1S/C21H29FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,23,25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
• InChIKey: MEZCUMCMVYZPAH-HVIRSNARSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 568.123°C at 760 mmHg (Cal.)
• Flash point: 297.39°C (Cal.)