[2-[(8S,9R,10S,11S,13S,14S,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-Oxoethyl] 2,2-Dibutylhexanoate
[CAS# 78901-95-8]

Identification

• Name: [2-[(8S,9R,10S,11S,13S,14S,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-Oxoethyl] 2,2-Dibutylhexanoate
• Synonyms: [2-[(8S,9R,10S,11S,13S,14S,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-Ethyl] 2,2-Dibutylhexanoate; 2,2-Dibutylhexanoic Acid [2-[(8S,9R,10S,11S,13S,14S,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-Oxoethyl] Ester; 2,2-Dibutylhexanoic Acid [2-[(8S,9R,10S,11S,13S,14S,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-Ethyl] Ester
• Molecular Formula: C₃₆H₅₅FO₆
• Molecular Weight: 602.83
• CAS Registry Number: 78901-95-8
• 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)COC(=O)C(CCCC)(CCCC)CCCC)C
• InChI: 1S/C36H55FO6/c1-7-10-16-34(17-11-8-2,18-12-9-3)31(41)43-23-30(40)36(42)24(4)20-28-27-14-13-25-21-26(38)15-19-32(25,5)35(27,37)29(39)22-33(28,36)6/h15,19,21,24,27-29,39,42H,7-14,16-18,20,22-23H2,1-6H3/t24-,27+,28+,29+,32+,33+,35+,36+/m1/s1
• InChIKey: KTCHQTXKNXKRDO-OOQKOAPDSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 684.641°C at 760 mmHg (Cal.)
• Flash point: 367.858°C (Cal.)