[(6Z)-2-Hydroxy-6,8,8,10A-Tetramethyl-5-Oxo-4A-{[(2E)-3-Phenyl-2-Propenoyl]Oxy}-1B,2,3,4,4A,5,7A,8,8A,9,10,10A-Dodecahydro-1Ah-Cyclopenta[10,11]Cyclopropa[5,6]Cycloundeca[1,2-B]Oxiren-3-Yl]Methyl Benzoate

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Properties Simple | Detailed

Formula C36H40O7
IUPAC Name [(6z)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-4a-{[(2e)-3-phenyl-2-propenoyl]oxy}-1b,2,3,4,4a,5,7a,8,8a,9,10,10a-dodecahydro-1ah-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-3-yl]methyl benzoate
Molecular Mass 584.699 g·mol−1
Heat of Formation -854.0 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 707.3 Å 3
Surface Area 539.69 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey VPKGGTXXWCTUNI-VGSDHWDASA-N
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