(5A)-Ergostane

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Formula C28H50
IUPAC Name (5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 386.697 g·mol−1
Heat of Formation -449.8 ± 16.7 kJ·mol−1
Dipole Moment 0.23 ± 1.08 D
Volume 555.66 Å 3
Surface Area 425.93 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
  • (5r,8r,9s,10s,13r,14s,17r)-17-[(2r,5s)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene
  • 5alpha-ergostane
  • ergostane
  • ergostane, (5alpha)-
CAS Number(s)
  • 511-20-6
InChIKey WAAWMJYYKITCGF-WTPIMUJOSA-N
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