(2S,3S,4S,5R,6R)-6-[2-[(10S,11S,13S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 152154-28-4]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[2-[(10S,11S,13S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[2-[(10S,11S,13S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[2-[(10S,11S,13S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[2-[(10S,11S,13S,16R,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₈H₃₇FO₁₁
• Molecular Weight: 568.59
• CAS Registry Number: 152154-28-4
• SMILES: [C@]14([C@](O)([C@@H](CC1C3C(F)([C@@]2(C(=CC(=O)C=C2)CC3)C)[C@@H](O)C4)C)C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C
• InChI: 1S/C28H37FO11/c1-12-8-16-15-5-4-13-9-14(30)6-7-25(13,2)27(15,29)17(31)10-26(16,3)28(12,38)18(32)11-39-24-21(35)19(33)20(34)22(40-24)23(36)37/h6-7,9,12,15-17,19-22,24,31,33-35,38H,4-5,8,10-11H2,1-3H3,(H,36,37)/t12-,15?,16?,17+,19+,20+,21-,22+,24-,25+,26+,27?,28+/m1/s1
• InChIKey: UBHXMSIBGRGDSX-JPZRPMRQSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 816.033°C at 760 mmHg (Cal.)
• Flash point: 447.321°C (Cal.)