(17alpha)-17-(Acetyloxy)-19-Norpregn-4-en-20-yn-3-one mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
[CAS# 51367-42-1]

Identification

• Name: (17alpha)-17-(Acetyloxy)-19-Norpregn-4-en-20-yn-3-one mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
• 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; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol; 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; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol; (8R,9S,13S,14S)-17-Ethynyl-3-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ol; [(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: C₄₃H₅₄O₅
• Molecular Weight: 650.90
• CAS Registry Number: 51367-42-1
• 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@H]78[C@H]5[C@@H](C6=C(CC5)C=C(OC)C=C6)CC[C@@]7(C(O)(CC8)C#C)C
• InChI: 1S/C22H28O3.C21H26O2/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;1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,17-20H,5-12H2,2-3H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18+,19+,20-,21-,22?;17-,18-,19+,20+,21?/m01/s1
• InChIKey: LJIMKYIHAROJIW-WKOQIPLYSA-N