(3β)-Cholest-5-En-3-Yl 2-(4-Isobutylphenyl)Propanoate

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Formula C40H30O2
IUPAC Name [6-(2-methylenecyclopropylidene)spiro[2.5]octa-4,7-dien-2-ylidene]methanone; (9z)-2-methyl-5-methylene-1-[3-[2-[(2-methylenecyclopropylidene)methylene]cyclopropyl]prop-1-ynyl]-6,7-didehydro-4ah-benzo[10]annulen-8-one
Molecular Mass 542.665 g·mol−1
Heat of Formation 6500.8 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 651.94 Å 3
Surface Area 587.65 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey AHZNTDCNXYKGOX-PSOYSMQDSA-N
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