Bolandiol

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Properties Simple | Detailed

Formula C18H28O2
IUPAC Name (3s,8r,9s,10r,13s,14s,17s)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 276.414 g·mol−1
Heat of Formation -510.5 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 359.6 Å 3
Surface Area 296.05 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
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InChIKey CMXKUJNZWYTFJN-XFUVECHXSA-N
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