(3R,4R,5Z)-3-[(7-Chloro-1,3-Benzodioxol-5-Yl)Methyl]-4-Hydroxy-4-Isopropyl-5-(4-Methoxybenzylidene)Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C23H23ClO6
IUPAC Name (3r,4s,5z)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]tetrahydrofuran-2-one
Molecular Mass 430.878 g·mol−1
Heat of Formation -799.7 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 487.47 Å 3
Surface Area 416.88 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey YYPUQBCQRSMSKU-KYAGZVBCSA-N
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Elements H C O Cl