Deposiston
[CAS# 54958-72-4]

Identification

• Name: Deposiston
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 1-[(13S)-17-Ethynyl-17-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Propane-2-Sulfonic Acid; Acetic Acid [(8R,9S,10R,13S,14S)-17-Ethynyl-3-Keto-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 1-[(13S)-17-Ethynyl-17-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Propane-2-Sulfonic Acid; 1-[(13S)-17-Ethynyl-17-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Propane-2-Sulfonic Acid; [(8R,9S,10R,13S,14S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₄₅H₅₈O₇S
• Molecular Weight: 743.01
• CAS Registry Number: 54958-72-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3(C(OC(=O)C)(CC4)C#C)C.[C@]58(C(O)(CCC5C6C(C7=C(CC6)C=C(C=C7)CC([S](=O)(=O)O)C)CC8)C#C)C
• InChI: 1S/C23H30O4S.C22H28O3/c1-4-23(24)12-10-21-20-8-6-17-14-16(13-15(2)28(25,26)27)5-7-18(17)19(20)9-11-22(21,23)3;1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,5,7,14-15,19-21,24H,6,8-13H2,2-3H3,(H,25,26,27);1,13,17-20H,5-12H2,2-3H3/t15?,19?,20?,21?,22-,23?;17-,18+,19+,20-,21-,22?/m00/s1
• InChIKey: HESCMCKQENPQSO-FSOKOXAQSA-N