[(3S,8R,9S,10R,13S,14S)-17-Ethynyl-3-Hydroxy-13-Methyl-2,3,6,7,8,9,10,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 2061-46-3]

Identification

• Name: [(3S,8R,9S,10R,13S,14S)-17-Ethynyl-3-Hydroxy-13-Methyl-2,3,6,7,8,9,10,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(3S,8R,9S,10R,13S,14S)-17-Ethynyl-3-Hydroxy-13-Methyl-2,3,6,7,8,9,10,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S)-17-Ethynyl-3-Hydroxy-13-Methyl-2,3,6,7,8,9,10,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate; 19-Nor-17-Alpha-Pregn-4-En-20-Yne-3-Beta,17-Diol, 17-Acetate
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.48
• CAS Registry Number: 2061-46-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=C[C@@H](O)CC1)CC2)CC[C@@]3(C(OC(=O)C)(CC4)C#C)C
• InChI: 1S/C22H30O3/c1-4-22(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/h1,13,16-20,24H,5-12H2,2-3H3/t16-,17-,18+,19+,20-,21-,22?/m0/s1
• InChIKey: WJCWCFAFTXVJQT-PMJAAYJESA-N