Daucosterol

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Properties Simple | Detailed

Formula C35H60O6
IUPAC Name (2r,3r,4s,5s,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-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
Molecular Mass 576.847 g·mol−1
Heat of Formation -1476.4 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 757.22 Å 3
Surface Area 593.11 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 4.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-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,4r)-4-ethyl-1,5-dimethyl-hexyl]-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
  • (2r,3r,4s,5s,6r)-2-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-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-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-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)oxane-3,4,5-triol
  • .beta.-d-glucopyranoside, (3.beta.)-stigmast-5-en-3-yl
  • d05848
  • sitogluside
  • sitogluside (usan)
CAS Number(s)
  • 474-58-8
InChIKey NPJICTMALKLTFW-OFUAXYCQSA-N
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