Methyl (3Ar,3Bs,5Ar,6R,8As,8Bs,10Ar)-3A,5A-Dimethyl-6-[(2R)-6-Methyl-2-Heptanyl]-1-Oxohexadecahydrodicyclopenta[A,F]Naphthalene-3-Carboxylate

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Properties Simple | Detailed

Formula C28H46O3
IUPAC Name methyl (3r,3ar,3bs,5ar,6r,8as,8bs,10ar)-6-[(1r)-1,5-dimethylhexyl]-3a,5a-dimethyl-1-oxo-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-2h-indeno[6,7-e]indene-3-carboxylate
Molecular Mass 430.663 g·mol−1
Heat of Formation -862.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 580.61 Å 3
Surface Area 451.98 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
InChIKey PJSICHQRUIZDEW-MYTAHINDSA-N
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