(5α,17Beta)-3-Oxoandrostan-17-Yl Beta-D-Glucopyranosiduronic Acid

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Formula C25H38O8
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 466.564 g·mol−1
Heat of Formation -1629.1 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 559.77 Å 3
Surface Area 434.8 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
InChIKey CLQMBSSRTBUNDV-CPKOJWPQSA-N
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