4-[(3β)-Cholest-5-En-3-Yloxy]-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C31H46O4
IUPAC Name 4-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r,5s)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-but-2-ynoate
Molecular Mass 482.695 g·mol−1
Heat of Formation -1111.8 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 649.37 Å 3
Surface Area 528.5 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
  • 4-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid
  • 4-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
  • cholest-5-en-3beta-yl hydrogen succinate
  • cholesteryl succinate
CAS Number(s)
  • 1510-21-0
InChIKey WLNARFZDISHUGS-MIXBDBMTSA-N
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