Lasilacton
[CAS# 124199-68-4]

Identification

• Name: Lasilacton
• Synonyms: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 4-Chloro-2-(2-Furylmethylamino)-5-Sulfamoyl-Benzoic Acid; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 4-Chloro-2-(2-Furylmethylamino)-5-Sulfamoylbenzoic Acid; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 4-Chloro-2-(2-Furylmethylamino)-5-Sulfamoyl-Benzoic Acid
• Molecular Formula: C₃₆H₄₅ClN₂O₁₀S₂
• Molecular Weight: 765.33
• CAS Registry Number: 124199-68-4
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)CCC(=O)O)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4SC(=O)C)C)C.C5=C(C(=CC(=C5[S](=O)(=O)N)Cl)NCC6=CC=CO6)C(=O)O
• InChI: 1S/C24H34O5S.C12H11ClN2O5S/c1-14(25)30-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23,29)11-7-20(27)28;13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);1-5,15H,6H2,(H,16,17)(H2,14,18,19)/t17-,18-,19+,21+,22-,23-,24?;/m0./s1
• InChIKey: ABIRIUVBSAQPBC-ATJCWOKCSA-N

Properties

• Boiling point: 618.3°C at 760 mmHg (Cal.)
• Flash point: 327.7°C (Cal.)