Dexamethasone linoleate
[CAS 39026-39-6]

Identification

• Name: Dexamethasone linoleate
• 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] (9Z,12Z)-Octadeca-9,12-Dienoate; (9Z,12Z)-Octadeca-9,12-Dienoic 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; (9Z,12Z)-Octadeca-9,12-Dienoic 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: C₄₀H₅₉FO₆
• Molecular Weight: 654.90
• CAS Registry Number: 39026-39-6
• EINECS: 254-254-4
• 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)CCCCCCC\C=C/C/C=C\CCCCC)C
• InChI: 1S/C40H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(45)47-28-35(44)40(46)29(2)25-33-32-22-21-30-26-31(42)23-24-37(30,3)39(32,41)34(43)27-38(33,40)4/h9-10,12-13,23-24,26,29,32-34,43,46H,5-8,11,14-22,25,27-28H2,1-4H3/b10-9-,13-12-/t29-,32+,33+,34+,37+,38+,39+,40+/m1/s1
• InChIKey: JCTITVWENFVLBV-SIVNAAEPSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 736.69°C at 760 mmHg (Cal.)
• Flash point: 399.336°C (Cal.)