(8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-[(E)-2-Iodoethenyl]-10,13-Dimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 145624-22-2]

Identification

• Name: (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-[(E)-2-Iodoethenyl]-10,13-Dimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-[(E)-2-Iodovinyl]-10,13-Dimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-3-One; 17-(2-Iodoethenyl)Androsta-4,6-Dien-17-Ol-3-One; 17-Ie-Adoo
• Molecular Formula: C₂₁H₂₇IO₂
• Molecular Weight: 438.35
• CAS Registry Number: 145624-22-2
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C=C2)C)CC[C@@]3([C@@](O)(CC4)\C=C\I)C
• InChI: 1S/C21H27IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h3-4,11-13,16-18,24H,5-10H2,1-2H3/b12-11+/t16-,17+,18+,19+,20+,21-/m1/s1
• InChIKey: BTQDHLNPKIOWIW-TWQPTUMUSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 522.81°C at 760 mmHg (Cal.)
• Flash point: 269.986°C (Cal.)