(8S,9S,11S,13S,14S,17R)-11-Ethyl-17-[(E)-2-Iodoethenyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 149046-54-8]

Identification

• Name: (8S,9S,11S,13S,14S,17R)-11-Ethyl-17-[(E)-2-Iodoethenyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: (8S,9S,11S,13S,14S,17R)-11-Ethyl-17-[(E)-2-Iodovinyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; 17-Iodovinyl-11-Ethylestradiol; 17Alpha-Iodovinyl-11Beta-Ethylestradiol
• Molecular Formula: C₂₂H₂₉IO₂
• Molecular Weight: 452.37
• CAS Registry Number: 149046-54-8
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](C[C@@H]3CC)([C@@](CC4)(\C=C\I)O)C)O
• InChI: 1S/C22H29IO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h5,7,10-12,14,18-20,24-25H,3-4,6,8-9,13H2,1-2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1
• InChIKey: UYRBVLDGMNORHN-XUOOYTPCSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 532.725°C at 760 mmHg (Cal.)
• Flash point: 275.983°C (Cal.)