(3α,5α,17Beta)-17-Hydroxyandrostan-3-Yl α-L-Talopyranosiduronic Acid

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Formula C25H40O8
IUPAC Name (2r,3s,4r,5r,6r)-3,4,5-trihydroxy-6-[[(3r,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 468.580 g·mol−1
Heat of Formation -1706.1 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 557.19 Å 3
Surface Area 423.03 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
InChIKey GYNWSIBKBBWJJW-JRTXBCKMSA-N
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