(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,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
Molecular Mass 478.648 g·mol−1
Heat of Formation -705.7 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 582.14 Å 3
Surface Area 400.95 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • sa-85530b
  • tdm-85530
InChIKey FMHQJXGMLMSMLC-WBUYAQKGSA-N
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