(3β,7Alpha,24R)-Ergost-5-Ene-3,7-Diol

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Formula C28H48O2
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 416.680 g·mol−1
Heat of Formation -723.8 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 572.46 Å 3
Surface Area 441.65 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • ergost-5-ene-3,7-diol
  • ergost-5-ene-3,7-diol, (3beta,7alpha,24r)-
  • ergost-5-ene-3beta,7alpha-diol
CAS Number(s)
  • 64780-73-0
InChIKey QZTNWQQTEVRSMC-COONVOOFSA-N
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