(8Xi,9Xi,14Xi,17Xi)-Cholest-5-En-3-Yl β-D-Glucopyranosiduronic Acid

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Formula C33H54O7
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(3s,10r,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 562.778 g·mol−1
Heat of Formation 2482.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 593.59 Å 3
Surface Area 487.6 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -3.54 ± eV
Point Group Symmetry C1
InChIKey IJLBJBCDNYOWPJ-ANSJJUGGSA-N
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