(9R,11S,14S,16R,17R)-6,6,9-Trifluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-8,11,12,14,15,16-Hexahydro-7H-Cyclopenta[a]Phenanthren-3-One
[CAS# 35135-68-3]

Identification

• Name: (9R,11S,14S,16R,17R)-6,6,9-Trifluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-8,11,12,14,15,16-Hexahydro-7H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (9R,11S,14S,16R,17R)-6,6,9-Trifluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-8,11,12,14,15,16-Hexahydro-7H-Cyclopenta[A]Phenanthren-3-One; (9R,11S,14S,16R,17R)-6,6,9-Trifluoro-17-Glycoloyl-11,17-Dihydroxy-10,13,16-Trimethyl-8,11,12,14,15,16-Hexahydro-7H-Cyclopenta[A]Phenanthren-3-One; (9R,11S,14S,16R,17R)-6,6,9-Trifluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-8,11,12,14,15,16-Hexahydro-7H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₂₇F₃O₅
• Molecular Weight: 428.45
• CAS Registry Number: 35135-68-3
• SMILES: [C@@]23(F)C([C@H]1C([C@](O)([C@@H](C1)C)C(=O)CO)(C[C@@H]2O)C)CC(F)(F)C4=CC(=O)C=CC34C
• InChI: 1S/C22H27F3O5/c1-11-6-13-14-8-20(23,24)15-7-12(27)4-5-18(15,2)21(14,25)16(28)9-19(13,3)22(11,30)17(29)10-26/h4-5,7,11,13-14,16,26,28,30H,6,8-10H2,1-3H3/t11-,13+,14?,16+,18?,19?,21+,22+/m1/s1
• InChIKey: QVTPFMPYKMLGGK-DJTXDQJFSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 560.253°C at 760 mmHg (Cal.)
• Flash point: 292.631°C (Cal.)