(1S,2S,3Ar,4S,5S,6E,9S,10S,11R,13As)-4,9,10,11-Tetraacetoxy-3A-Hydroxy-2,5,8,8,12-Pentamethyl-2,3,3A,4,5,8,9,10,11,13A-Decahydro-1H-Cyclopenta[12]Annulen-1-Yl Benzoate

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Formula C35H46O11
IUPAC Name [(1s,2s,3ar,4s,5s,6e,9s,10s,11r,12z,13as)-4,9,10,11-tetraacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1h-cyclopenta[12]annulen-1-yl] benzoate
Molecular Mass 642.733 g·mol−1
Heat of Formation -2102.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 784.34 Å 3
Surface Area 538.85 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey LCHGAQCFENCJPB-XJEAQJEKSA-N
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