(8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
[CAS# 57637-90-8]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-Hydroxy-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-One; Acetic Acid [(8R,9S,10R,13S,14S)-17-Acetyl-6-Chloro-3-Keto-10,13-Dimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-Hydroxy-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-One; [(8R,9S,10R,13S,14S)-6-Chloro-17-Ethanoyl-10,13-Dimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate; (8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-Hydroxy-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₄₃H₅₅ClO₆
• Molecular Weight: 703.36
• CAS Registry Number: 57637-90-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C(=C2)Cl)C)CC[C@@]3(C(OC(=O)C)(CC4)C(=O)C)C.[C@H]78[C@H]6[C@@H]([C@@H]5C(=CC(=O)CC5)CC6)CC[C@@]7([C@@](O)(CC8)C#C)C
• InChI: 1S/C23H29ClO4.C20H26O2/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h11-12,16-18H,5-10H2,1-4H3;1,12,15-18,22H,4-11H2,2H3/t16-,17+,18+,21-,22+,23?;15-,16+,17+,18-,19-,20-/m10/s1
• InChIKey: UXABTFQMPIXAJM-KWHFDSKFSA-N