1-({[(3α,8Xi,9Xi,14Xi,17Xi)-3-Hydroxycholest-5-En-3-Yl]Amino}Oxy)-2-(2,4,6-Triiodobenzyl)-1-Butanone

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Formula C38H57I3NO3+
IUPAC Name [[(3r,8r,9r,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]amino] (2s)-2-[(2,4,6-triiodophenyl)methyl]butanoate
Molecular Mass 956.577 g·mol−1
Heat of Formation -504.1 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 901.57 Å 3
Surface Area 674.72 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey OZOBNBRCHCPBJL-CRFPKHPESA-N
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