(1α,3Beta)-Cholesta-5,7-Diene-1,3-Diyl Diacetate

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Properties Simple | Detailed

Formula C31H44O4
IUPAC Name [(1s,3r,9s,10r,13r,14r,17r)-1-acetyloxy-10,13-dimethyl-17-[(1r)-1-methylhept-6-ynyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 480.679 g·mol−1
Heat of Formation -1009.6 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 640.68 Å 3
Surface Area 511.34 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 3.50 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,3r,9s,10r,13r,14r,17r)-3-acetoxy-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-1-yl] acetate
  • [(1s,3r,9s,10r,13r,14r,17r)-3-acetyloxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-1-yl] acetate
  • [(1s,3r,9s,10r,13r,14r,17r)-3-acetyloxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-1-yl] ethanoate
  • acetic acid [(1s,3r,9s,10r,13r,14r,17r)-3-acetoxy-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-1-yl] ester
  • cholest-5,7-diene-1alpha,3beta-diol
  • cholesta-5,7-diene-1alpha,3beta-diyl diacetate
CAS Number(s)
  • 41461-10-3
InChIKey ZJSVLATWWDIYJS-LNNOUWJJSA-N
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