(3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-Iodophenyl)Dodecoxy]-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 130504-77-7]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-Iodophenyl)Dodecoxy]-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-[12-(3-Iodophenyl)Dodecoxy]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; Cholest-5-Ene, 3-((12-(3-Iodophenyl)Dodecyl)Oxy)-, (3Beta)-; Cholesteryl-12-(3-Iodophenyl)Dodecyl Ether
• Molecular Formula: C₄₅H₇₃IO
• Molecular Weight: 756.98
• CAS Registry Number: 130504-77-7
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OCCCCCCCCCCCCC2=CC=CC(=C2)I)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C45H73IO/c1-34(2)18-16-19-35(3)41-25-26-42-40-24-23-37-33-39(27-29-44(37,4)43(40)28-30-45(41,42)5)47-31-15-13-11-9-7-6-8-10-12-14-20-36-21-17-22-38(46)32-36/h17,21-23,32,34-35,39-43H,6-16,18-20,24-31,33H2,1-5H3/t35-,39+,40+,41-,42+,43+,44+,45-/m1/s1
• InChIKey: UXBCHMIKTYBYTN-LQPTXBPRSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 709.833°C at 760 mmHg (Cal.)
• Flash point: 383.093°C (Cal.)