(3β,24S)-24-Methyl-19-Norcholesta-5(10),6,8-Trien-3-Yl Acetate

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Properties Simple | Detailed

Formula C29H44O2
IUPAC Name [(3s,13r,14r,17r)-13-methyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 424.658 g·mol−1
Heat of Formation -641.9 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 575.61 Å 3
Surface Area 462.49 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,13r,14r,17r)-13-methyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,13r,14r,17r)-17-[(2r,5s)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,13r,14r,17r)-17-[(2r,5s)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,13r,14r,17r)-13-methyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
CAS Number(s)
  • 15019-43-9
InChIKey KREGYMYHIDTTHK-CGSRURIWSA-N
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