Campest-5-En-3-One

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Formula C28H46O
IUPAC Name (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 398.664 g·mol−1
Heat of Formation -496.2 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 555.31 Å 3
Surface Area 432.8 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey ATIPVUGMJZAJPC-IMUDCKKOSA-N
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