γ-(Cholesteryloxy)Butyric Acid

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Properties Simple | Detailed

Formula C31H52O3
IUPAC Name 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]butanoic acid
Molecular Mass 472.743 g·mol−1
Heat of Formation 445.0 ± 16.7 kJ·mol−1
Dipole Moment 66.54 ± 1.08 D
Volume 635.77 Å 3
Surface Area 507.32 Å 2
HOMO Energy -5.32 ± 0.55 eV
LUMO Energy -4.55 ± eV
Point Group Symmetry C1
Synonyms
  • 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]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]butyric acid
InChIKey CRDNCPAYGSTGQR-GTPODGLVSA-N
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