(3β,22E)-Ergosta-5,22,25-Trien-3-Ol

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Formula C28H44O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,2e,4s)-1,4,5-trimethylhexa-2,5-dienyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 396.648 g·mol−1
Heat of Formation -352.5 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 551.86 Å 3
Surface Area 433.54 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,2e,4s)-1,4,5-trimethylhexa-2,5-dienyl]-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,3e,5s)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 22-eg-tbo
  • ergosta-5,22,25-trien-3-ol
  • ergosta-5,22,25-trien-3-ol, (3beta,22e)-
CAS Number(s)
  • 80525-49-1
InChIKey HRPSGINBXAVYDY-ZAUYPBDWSA-N
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