17-Hydroxyestra-1(10),2,4-Trien-3-Yl Hexopyranosiduronate

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Formula C24H32O8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8s,9r,13r,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 -1484.3 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 520.73 Å 3
Surface Area 413.54 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
InChIKey MUOHJTRCBBDUOW-JMXXTIQDSA-N
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