(5S,8R,9S,10S,13S,14S)-17-Hydroxy-17-[(E)-2-Iodoethenyl]-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 129163-98-0]

Identification

• Name: (5S,8R,9S,10S,13S,14S)-17-Hydroxy-17-[(E)-2-Iodoethenyl]-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (5S,8R,9S,10S,13S,14S)-17-Hydroxy-17-[(E)-2-Iodovinyl]-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5Alpha,17Alpha,20E)-17-Hydroxy-21-Iodopregn-20-En-3-One; 17-(2-Iodovinyl)Dihydrotestosterone
• Molecular Formula: C₂₁H₃₁IO₂
• Molecular Weight: 442.38
• CAS Registry Number: 129163-98-0
• SMILES: [C@H]12CC(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CCC(\C=C\I)([C@@]3(C)CC4)O)C)=O
• InChI: 1S/C21H31IO2/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/h11-12,14,16-18,24H,3-10,13H2,1-2H3/b12-11+/t14-,16+,17-,18-,19-,20-,21?/m0/s1
• InChIKey: DWUIOIDQYOFBEC-RELFHSLBSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 488.432°C at 760 mmHg (Cal.)
• Flash point: 249.195°C (Cal.)