(8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 337-02-0]

Identification

• Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-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,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-17-Glycoloyl-11,16,17-Trihydroxy-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₉FO₆
• Molecular Weight: 396.45
• CAS Registry Number: 337-02-0
• EINECS: 206-411-3
• SMILES: [C@@]1([C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)CC[C@]34C)(O)C(CO)=O
• InChI: 1S/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
• InChIKey: SXQQMCLQCSKJNC-OBYCQNJPSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 585.214°C at 760 mmHg (Cal.)
• Flash point: 307.726°C (Cal.)