(15α)-3,17-Dioxoestr-4-En-15-Yl Beta-D-Glucopyranosiduronic Acid

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Formula C24H32O9
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(8r,9s,10r,13s,14s,15s)-13-methyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]oxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 464.505 g·mol−1
Heat of Formation -1653.1 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 541.46 Å 3
Surface Area 428.44 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey ADQUXZRKOKKULD-CZOXBATISA-N
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