2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-4-Yl]Sulfanyl]Acetic Acid
[CAS# 131467-45-3]

Identification

• Name: 2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-4-Yl]Sulfanyl]Acetic Acid
• Synonyms: 2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-17-Glycoloyl-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-4-Yl]Sulfanyl]Ethanoic Acid
• Molecular Formula: C₂₄H₃₁FO₇S
• Molecular Weight: 482.56
• CAS Registry Number: 131467-45-3
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=C(SCC(=O)O)C(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)CO)C
• InChI: 1S/C24H31FO7S/c1-12-8-15-13-4-5-14-20(33-11-19(30)31)16(27)6-7-21(14,2)23(13,25)17(28)9-22(15,3)24(12,32)18(29)10-26/h6-7,12-13,15,17,26,28,32H,4-5,8-11H2,1-3H3,(H,30,31)/t12-,13+,15+,17+,21+,22+,23+,24+/m1/s1
• InChIKey: YNWPGLLPEDRZEY-AHAMZHHVSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 700.806°C at 760 mmHg (Cal.)
• Flash point: 377.634°C (Cal.)