4-[[(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]Oxy]-4-Oxobutanoic Acid
[CAS# 138219-86-0]

Identification

• Name: 4-[[(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]Oxy]-4-Oxobutanoic Acid
• Synonyms: 4-[[(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(8R,9S,13S,14S,17R)-17-Ethynyl-3-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Keto-Butyric Acid; 17Beta-Hemisuccinyl-17-Ethynylestradiol
• Molecular Formula: C₂₄H₂₈O₅
• Molecular Weight: 396.48
• CAS Registry Number: 138219-86-0
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@](CC4)(OC(CCC(=O)O)=O)C#C)C)O
• InChI: 1S/C24H28O5/c1-3-24(29-22(28)9-8-21(26)27)13-11-20-19-6-4-15-14-16(25)5-7-17(15)18(19)10-12-23(20,24)2/h1,5,7,14,18-20,25H,4,6,8-13H2,2H3,(H,26,27)/t18-,19-,20+,23+,24+/m1/s1
• InChIKey: QAMBZAFJJRRREH-WOLONVGXSA-N