(17β)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl β-D-Glucopyranosiduronic Acid

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Formula C24H32O8
IUPAC Name (2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8s,9s,13s,14r,17r)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 448.506 g·mol−1
Heat of Formation -1515.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 516.25 Å 3
Surface Area 391.25 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 3.47 ± eV
Point Group Symmetry C1
InChIKey MUOHJTRCBBDUOW-CHDKZZCCSA-N
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Elements H C O