(3β,5Alpha,6β)-Stigmastane-3,5,6-Triol

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Formula C29H52O3
IUPAC Name (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Mass 448.721 g·mol−1
Heat of Formation -997.3 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 611.87 Å 3
Surface Area 454.93 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • 5-alpha-stigmastane-3beta-5,6beta-triol-3-monobenzoate
  • 5alpha-stigmastane-3beta,5,6beta-triol 3-monobenzoate
CAS Number(s)
  • 20835-91-0
InChIKey VGSSUFQMXBFFTM-METNKUIYSA-N
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