(2β,3β,5β,9Xi,14Xi)-2,14,20,22-Tetrahydroxy-6-Oxocholest-7-En-3-Yl β-D-Allopyranoside

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Formula C33H54O11
IUPAC Name (2s,3r,5r,9r,10r,13r,14s,17s)-17-[(1r,2r)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 626.775 g·mol−1
Heat of Formation -2298.2 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 758.51 Å 3
Surface Area 572.34 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey CNAKQRUFJWYXIC-PPOCGGKUSA-N
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