Disodium (8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-(2-Hydroxyacetyl) -10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthrene-11,17-Diolate
[CAS# 7460-03-9]

Identification

• Name: Disodium (8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-(2-Hydroxyacetyl) -10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthrene-11,17-Diolate
• Synonyms: Disodium (8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthrene-11,17-Diolate; Disodium (8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-Glycoloyl-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthrene-11,17-Diolate; Disodium (8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthrene-11,17-Diolate
• Molecular Formula: C₂₂H₂₇FNa₂O₅
• Molecular Weight: 436.43
• CAS Registry Number: 7460-03-9
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H]([O-])C[C@@]3([C@]([O-])([C@H](C4)C)C(=O)CO)C.[Na+].[Na+]
• InChI: 1S/C22H27FO5.2Na/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;;/h6-7,9,12,15-17,24H,4-5,8,10-11H2,1-3H3;;/q-2;2*+1/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
• InChIKey: CUAKZZUNMDTHBQ-LWCNAHDDSA-N

Properties

• Boiling point: 568.2°C at 760 mmHg (Cal.)
• Flash point: 297.5°C (Cal.)