[(3S,8S,9S,10S,13R,14S,17R)-10-(Iodomethyl)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
[CAS# 74728-04-4]

Identification

• Name: [(3S,8S,9S,10S,13R,14S,17R)-10-(Iodomethyl)-13-Methyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (E)-Octadec-9-Enoate
• Synonyms: [(3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10-(Iodomethyl)-13-Methyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10-(Iodomethyl)-13-Methyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Cholest-5-En-3-Ol, 19-Iodo-, 9-Octadecenoate, (3Beta(Z))-
• Molecular Formula: C₄₅H₇₇IO₂
• Molecular Weight: 777.01
• CAS Registry Number: 74728-04-4
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC2)CI)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C45H77IO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-43(47)48-38-29-32-45(34-46)37(33-38)25-26-39-41-28-27-40(36(4)23-21-22-35(2)3)44(41,5)31-30-42(39)45/h13-14,25,35-36,38-42H,6-12,15-24,26-34H2,1-5H3/b14-13+/t36-,38+,39+,40-,41+,42+,44-,45-/m1/s1
• InChIKey: IVGLJLLTGGIZTK-KEAFGKSPSA-N