(3β)-Cholest-5-En-3-Yl β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C33H14O6
IUPAC Name (2r,3r,4s,5r,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Mass 506.461 g·mol−1
Heat of Formation 3400.0 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 551.99 Å 3
Surface Area 488.41 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5r,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey FSMCJUNYLQOAIM-YQDUOBHUSA-N
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