(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-Tetramethyl-9-Oxo-4-Vinyltricyclo[5.4.3.0~1,8~]Tetradec-6-Yl {[2-Methyl-1-(D-Valylamino)-2-Propanyl]Sulfanyl}Acetate

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Formula C31H52N2O5S
IUPAC Name [(1s,2r,3s,4s,6r,7r,8r,14r)-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyl-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[(2r)-2-amino-3-methyl-butanoyl]amino]-1,1-dimethyl-ethyl]sulfanylacetate
Molecular Mass 564.820 g·mol−1
Heat of Formation -1173.3 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 718.57 Å 3
Surface Area 490.54 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey LLYYNOVSVPBRGV-MVNKZKPCSA-N
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