(22E)-Ergosta-4,6,8(14),22-Tetraen-3-One

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Properties Simple | Detailed

Formula C28H40O
IUPAC Name (9r,10r,13r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 392.617 g·mol−1
Heat of Formation -252.7 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 538.1 Å 3
Surface Area 424.33 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (9r,10r,13r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (9r,10r,13r,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • ergosta-4,6,8(14),22-tetraen-3-one, (22e)-
CAS Number(s)
  • 19254-69-4
  • 27625-48-5
InChIKey OIMXTYUHMBQQJM-HSVWHVBGSA-N
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