(16α,17Beta)-3,16-Dihydroxyestra-1(10),2,4-Trien-17-Yl Beta-D-Glucopyranosiduronic Acid

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Formula C24H32O9
IUPAC Name (2r,3r,4r,5r,6s)-6-[[(8s,9r,13r,14r,16s,17s)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 464.505 g·mol−1
Heat of Formation 1518.2 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 451.67 Å 3
Surface Area 398.74 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -2.92 ± eV
Point Group Symmetry C1
InChIKey CZGFLAQOJPXVRV-DDTNRNEOSA-N
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