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

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Properties Simple | Detailed

Formula C29H15O6
IUPAC Name (2r,3r,4s,5s,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 459.426 g·mol−1
Heat of Formation -1436.9 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 715.04 Å 3
Surface Area 566.6 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 4.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,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,5s,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
  • (3beta)-cholest-5-en-3-yl d-glucopyranoside
  • cholest-5-en-3beta-yl beta-d-glucopyranoside
  • cholesterol glucoside
  • cholesteryl beta-d-glucoside
  • cholesteryl glucoside
  • cholesteryl-beta-d-glucoside
CAS Number(s)
  • 26671-80-7
InChIKey FSMCJUNYLQOAIM-UQBZCTSOSA-N
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