(1R,3R,7E,17β)-17-[(2R,3R)-3-Butyl-5-Ethyl-5-Hydroxy-2-Heptanyl]-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol

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Properties Simple | Detailed

Formula C32H54O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2r)-2-butyl-4-ethyl-4-hydroxy-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
Molecular Mass 486.769 g·mol−1
Heat of Formation -828.9 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 674.58 Å 3
Surface Area 534.5 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 3.42 ± eV
Point Group Symmetry C1
InChIKey OILLQCLQUXHGBN-ZVBNMKQKSA-N
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