(3β,22E)-Stigmasta-5,7,14,22,25-Pentaen-3-Ol

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Properties Simple | Detailed

Formula C29H42O
IUPAC Name (3s,9r,10r,13r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 406.643 g·mol−1
Heat of Formation -211.0 ± 16.7 kJ·mol−1
Dipole Moment 1.12 ± 1.08 D
Volume 560.56 Å 3
Surface Area 441.58 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9r,10r,13r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9r,10r,13r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethylhexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9r,10r,13r,17r)-17-[(2r,3e,5r)-5-ethyl-6-methyl-hepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9r,10r,13r,17r)-17-[(2r,3e,5r)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • smpol
CAS Number(s)
  • 119400-44-1
InChIKey BGVRLHTZYLTSAD-JUIQTESCSA-N
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