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

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Properties Simple | Detailed

Formula C29H44O
IUPAC Name (3s,9s,10r,13r,14r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 408.659 g·mol−1
Heat of Formation -284.8 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 567.18 Å 3
Surface Area 442.25 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9s,10r,13r,14r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(1r,2e,4r)-4-ethyl-1,5-dimethylhexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(2r,3e,5r)-5-ethyl-6-methyl-hepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(2r,3e,5r)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • smtol
CAS Number(s)
  • 119386-11-7
InChIKey ZQGUFZGRZKDSPC-CIFIHVIMSA-N
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