(8R,9S,13S,14S,17R)-2,4-Dibromo-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 79769-52-1]

Identification

• Name: (8R,9S,13S,14S,17R)-2,4-Dibromo-17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol, 2,4-Dibromo-, (17Alpha)-; 2,4-Dibromo-17-Ethynyl(6,7)Estradiol; 2,4-Dibromo-17-Ethynyl(6,7-3H)Estradiol
• Molecular Formula: C₂₀H₂₂Br₂O₂
• Molecular Weight: 454.20
• CAS Registry Number: 79769-52-1
• SMILES: [C@H]24[C@H]1[C@@]([C@@](C#C)(O)CC1)(CC[C@@H]2C3=C(C(=C(O)C(=C3)Br)Br)CC4)C
• InChI: 1S/C20H22Br2O2/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,23-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1
• InChIKey: TVZPJONPQWRVQV-QEIBRJLASA-N