(6β,8Xi,9Xi,12Alpha,13Alpha,14β,20R)-3,6,12-Trihydroxy-4,4,14,17-Tetramethyl-18-Norcholest-24-En-20-Yl β-D-Allopyranoside

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Formula C36H62O9
IUPAC Name (2s,3r,4r,5s,6r)-2-[(1r)-1,5-di(methyl)-1-[(3r,4s,5r,6r,8r,9r,10r,12s,13r,14r,17s)-4,4,10,14,17-pentamethyl-3,6,12-trioxido-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]hex-4-enoxy]-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 638.872 g·mol−1
Heat of Formation -2000.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 791.37 Å 3
Surface Area 551.9 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
InChIKey QLPKLNOLHUEWSE-JZWNZNJWSA-N
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