(3β,5Alpha)-Stigmast-7-En-3-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C31H18O6
IUPAC Name 6-[(6z,14s)-2,15-dimethylene-2'-[(2-methylenecyclopropylidene)methylene]spiro[bicyclo[8.7.0]heptadeca-6,8,9-trien-3,11,16-triyne-14,1'-cyclopropane]-5-yl]oxytetrahydropyran-2,3,4,5-tetrone
Molecular Mass 486.471 g·mol−1
Heat of Formation -1474.1 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 756.25 Å 3
Surface Area 587.99 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 4.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5s,9r,10s,13r,14r,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5s,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5s,9r,10s,13r,14r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • beta-d-glucopyranoside, (3beta,5alpha)-stigmast-7-en-3-yl
  • schottenol beta-d-glucoside
  • schottenol glucoside
CAS Number(s)
  • 61376-86-1
InChIKey XWPUVGRUJWXYTP-PYUVDJBBSA-N
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