5-[2-(1-{1-[(2-Hydroxy-2-Methylpropyl)Amino]-2-Propanyl}-7A-Methyloctahydro-4H-Inden-4-Ylidene)Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C26H43NO3
IUPAC Name (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(1r)-2-[(2-hydroxy-2-methyl-propyl)amino]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 417.625 g·mol−1
Heat of Formation -684.9 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 561.95 Å 3
Surface Area 455.18 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey KJDVMNDTGSVQOU-ZNXWMXANSA-N
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