(3S,8S,9S,10R,13R,14S,17R)-6-Iodo-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]Phenanthren-3-Ol
[CAS# 74920-44-8]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-6-Iodo-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]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-6-Iodo-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 6-Iodocholesterol; 6Beta-Iodocholesterol
• Molecular Formula: C₂₇H₄₅IO
• Molecular Weight: 512.56
• CAS Registry Number: 74920-44-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=C(I)C3)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H45IO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23,29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27-/m1/s1
• InChIKey: BWBDFSZMGKKIFA-OLSNINGUSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 526.591°C at 760 mmHg (Cal.)
• Flash point: 272.273°C (Cal.)