(1S,2R,3S,4R,6R,7R,8R,14R)-4-Ethyl-3-Hydroxy-2,4,7,14-Tetramethyl-9-Oxotricyclo[5.4.3.0~1,8~]Tetradec-6-Yl [(5-Amino-1H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetate

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Formula C24H38N4O4S
IUPAC Name [(1s,2r,3r,4r,6r,7r,8r,14r)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate
Molecular Mass 478.648 g·mol−1
Heat of Formation -708.5 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 576.73 Å 3
Surface Area 398.4 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey FMHQJXGMLMSMLC-OHCLEQHUSA-N
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