Socketol
[CAS# 81340-57-0]

Identification

• Name: Socketol
• Synonyms: 2-Diethylamino-N-(2,6-Dimethylphenyl)Acetamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One; 2-Diethylamino-N-(2,6-Dimethylphenyl)Acetamide; (8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One; 2-Diethylamino-N-(2,6-Dimethylphenyl)Ethanamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₃₅H₅₀N₂O₆
• Molecular Weight: 594.79
• CAS Registry Number: 81340-57-0
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)CO)C.C5=CC=C(C(=C5C)NC(=O)CN(CC)CC)C
• InChI: 1S/C21H28O5.C14H22N2O/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;7-9H,5-6,10H2,1-4H3,(H,15,17)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
• InChIKey: MWXJEBDNKKZESE-WDCKKOMHSA-N

Properties

• Boiling point: 570.6°C at 760 mmHg (Cal.)
• Flash point: 313°C (Cal.)