(3β,5Alpha,6β)-Cholestane-3,5,6-Triol

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Formula C27H48O3
IUPAC Name (3r,5s,6s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Mass 420.668 g·mol−1
Heat of Formation -976.2 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 567.91 Å 3
Surface Area 434.42 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey YMMFNKXZULYSOQ-FRYLZWIASA-N
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