Stigmast-5-En-3β,24-Diol

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Properties Simple | Detailed

Formula C29H50O2
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4s)-4-ethyl-4-hydroxy-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-ol
Molecular Mass 430.706 g·mol−1
Heat of Formation -744.0 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 601.9 Å 3
Surface Area 453.76 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4s)-4-ethyl-4-hydroxy-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-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,4s)-4-ethyl-4-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5s)-5-ethyl-5-hydroxy-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-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(2r,5s)-5-ethyl-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
CAS Number(s)
  • 71208-86-1
InChIKey XKNWSLIOITZBGP-BDCPAJACSA-N
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