(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-Hepten-2-Yl]-6,10-Dimethyl-16,17-Dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]Nonadec-18-En-13-Ol

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Formula C28H44O3
IUPAC Name (1s,2r,5r,6r,9r,10r,13s,15s)-5-[(2r,3e,5r)-5,6-dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0 1,9 .0 2,6 .0 10,15 ]nonadec-18-en-13-ol
Molecular Mass 428.647 g·mol−1
Heat of Formation -446.1 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 564.96 Å 3
Surface Area 434.37 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 5.alpha.,8.alpha.-ergosta-6,22-dien-3.beta.-ol, 5,8-epidioxy-
  • ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22e)-
  • ergosterol 5.alpha.,8.alpha.-epidioxide
  • ergosterol endoperoxide
  • ergosterol peroxide
  • ergosterol-5,8-peroxide
  • peroxyergosterol
CAS Number(s)
  • 2061-64-5
InChIKey VXOZCESVZIRHCJ-KGHQQZOUSA-N
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