(3beta)-Cholest-5-en-3-ol 12-((4-azido-2-hydroxy-5-(iodo-125I)benzoyl)amino)dodecanoate
[CAS# 125108-88-5]

Identification

• Name: (3beta)-Cholest-5-en-3-ol 12-((4-azido-2-hydroxy-5-(iodo-125I)benzoyl)amino)dodecanoate
• Synonyms: [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 12-[(4-Azido-2-Hydroxy-5-Iodo-Benzoyl)Amino]Dodecanoate; 12-[[(4-Azido-2-Hydroxy-5-Iodophenyl)-Oxomethyl]Amino]Dodecanoic Acid [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 12-[(4-Azido-2-Hydroxy-5-Iodo-Benzoyl)Amino]Lauric Acid [(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₆H₇₁IN₄O₄
• Molecular Weight: 871.00
• CAS Registry Number: 125108-88-5
• SMILES: [N+](=NC5=C(C=C(C(NCCCCCCCCCCCC(=O)OC4CC[C@]2(C(=CCC3C1CC[C@H]([C@@H](CCCC(C)C)C)[C@@]1(C)CCC23)C4)C)=O)C(=C5)O)I)=[N-]
• InChI: 1S/C46H71IN4O4/c1-31(2)16-15-17-32(3)37-21-22-38-35-20-19-33-28-34(23-25-45(33,4)39(35)24-26-46(37,38)5)55-43(53)18-13-11-9-7-6-8-10-12-14-27-49-44(54)36-29-40(47)41(50-51-48)30-42(36)52/h19,29-32,34-35,37-39,52H,6-18,20-28H2,1-5H3,(H,49,54)/t32-,34?,35?,37-,38?,39?,45+,46-/m1/s1
• InChIKey: WASFNXUOAXICMC-GPVRCZESSA-N