(3β,24R)-Ergosta-5,7-Dien-3-Ol

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Properties Simple | Detailed

Formula C28H46O
IUPAC Name (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -450.5 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 555.52 Å 3
Surface Area 431.85 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-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,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey ZKQRGSXITBHHPC-ZDYSRAJASA-N
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