Norgestimate mixture with ethinyl estradiol
[CAS# 79871-54-8]

Identification

• Name: Norgestimate mixture with ethinyl estradiol
• Synonyms: Acetic Acid [(3E,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-Ethynyl-3-Hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; Acetic Acid [(3E,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-Ethynyl-3-Hydroximino-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; [(3E,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-Ethynyl-3-Hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; (8R,9S,13S,14S,17R)-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol
• Molecular Formula: C₄₃H₅₅NO₅
• Molecular Weight: 665.91
• CAS Registry Number: 79871-54-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=N/O)/CC1)CC2)CC[C@@]3([C@@](OC(=O)C)(CC4)C#C)CC.[C@H]78[C@H]5[C@@H](C6=C(CC5)C=C(O)C=C6)CC[C@@]7([C@@](O)(CC8)C#C)C
• InChI: 1S/C23H31NO3.C20H24O2/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25;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/h2,14,18-21,26H,4,6-13H2,1,3H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/b24-17+;/t18-,19+,20+,21-,22-,23-;16-,17-,18+,19+,20+/m01/s1
• InChIKey: GYMWQLRSSDFGEQ-ADRAWKNSSA-N