(3S,6R,8S,9S,13R,14S,17R)-6-(Iodomethyl)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Ol
[CAS# 56897-09-7]

Identification

• Name: (3S,6R,8S,9S,13R,14S,17R)-6-(Iodomethyl)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Ol
• Synonyms: Norcholestenol Iodomethyl ((Sup 131)I); Norcholestenol Iodomethyl (131 I); Adosterol (Tn)
• Molecular Formula: C₂₇H₄₅IO
• Molecular Weight: 512.56
• CAS Registry Number: 56897-09-7
• SMILES: [131I]C[C@@H]3C[C@H]2[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2C4=C3C[C@@H](O)CC4)C
• InChI: 1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4
• InChIKey: QJHZPCLORSPENH-DRTKWHMQSA-N

Properties

• Density: 1.246g/cm³ (Cal.)