Iodocholesterol
[CAS# 42220-21-3]

Identification

• Name: Iodocholesterol
• Synonyms: Cholest-5-En-3-Ol, 19(Iodo-(Sup 131)I)-, (3Beta)-; Iodocholesterol (I 131); Iodocholesterol I 131 [Usan]
• Molecular Formula: C₂₇H₄₅IO
• Molecular Weight: 512.56
• CAS Registry Number: 42220-21-3
• SMILES: [131I]C[C@@]34[C@@H]2[C@H]([C@H]1C([C@H](CC1)[C@@H](CCCC(C)C)C)(CC2)C)CC=C3C[C@@H](O)CC4
• InChI: 1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26?,27-/m1/s1/i28+4
• InChIKey: FIOAEFCJGZJUPW-KPHNCZBASA-N

Properties

• Density: 1.247g/cm³ (Cal.)