(3beta)-3-Iodo-Cholest-5-Ene
[CAS# 2930-80-5]

Identification

• Name: (3beta)-3-Iodo-Cholest-5-Ene
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Iodo-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; 3-Beta-Iodocholest-5-Ene; Cholesteryl Iodide
• Molecular Formula: C₂₇H₄₅I
• Molecular Weight: 496.56
• CAS Registry Number: 2930-80-5
• EINECS: 220-900-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](I)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: PMVJGSYGUZXDAR-DPAQBDIFSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 499.502°C at 760 mmHg (Cal.)
• Flash point: 207.7°C (Cal.)