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

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Formula C24H32O8
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(8r,9r,13s,14r,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 448.506 g·mol−1
Heat of Formation -1491.0 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 522.41 Å 3
Surface Area 414.31 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey MTKNDAQYHASLID-DDQXYBKGSA-N
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