Ergosta-5,22-Dien-3.β.-Ol

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Formula C28H46O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -453.8 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 559.52 Å 3
Surface Area 436.75 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-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-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • brassicasterol
  • ergosta-5,22e-dien-3beta-ol
  • lmst01030098
CAS Number(s)
  • 474-67-9
InChIKey OILXMJHPFNGGTO-ZAUYPBDWSA-N
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