19-Iodocholesterol 3-Ethyl Ether
[CAS# 66277-12-1]

Identification

• Name: 19-Iodocholesterol 3-Ethyl Ether
• Synonyms: (3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Ethoxy-10-(Iodomethyl)-13-Methyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; 19-Iodocholesterol 3-Ethyl Ether; Cholest-5-Ene, 3-Ethoxy-19-Iodo-, (3Beta)-
• Molecular Formula: C₂₉H₄₉IO
• Molecular Weight: 540.61
• CAS Registry Number: 66277-12-1
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OCC)CC2)CI)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C29H49IO/c1-6-31-23-14-17-29(19-30)22(18-23)10-11-24-26-13-12-25(21(4)9-7-8-20(2)3)28(26,5)16-15-27(24)29/h10,20-21,23-27H,6-9,11-19H2,1-5H3/t21-,23+,24+,25-,26+,27+,28-,29-/m1/s1
• InChIKey: VNONSVJHTAHLPB-KYZQNHQYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 537.493°C at 760 mmHg (Cal.)
• Flash point: 278.866°C (Cal.)