(3β)-Cholest-5-En-3-Yl (2E)-3-(2-Hydroxyphenyl)Acrylate

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Formula C36H52O3
IUPAC Name [(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] (e)-3-(2-hydroxyphenyl)prop-2-enoate
Molecular Mass 532.796 g·mol−1
Heat of Formation -708.2 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 706.13 Å 3
Surface Area 577.81 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2-hydroxyphenyl)acrylic acid [(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] ester
  • (e)-3-(2-hydroxyphenyl)prop-2-enoic acid [(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] ester
  • [(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] (e)-3-(2-hydroxyphenyl)prop-2-enoate
  • [(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] (e)-3-(2-hydroxyphenyl)prop-2-enoate
  • cholest-5-en-3-ol (3beta)-, 3-(2-hydroxyphenyl)-2-propenoate
  • cholesteryl-2-coumarate
  • cholesteryl-o-coumarate
CAS Number(s)
  • 99910-85-7
InChIKey JPTUJXPTFCNGAF-FWFAPRHVSA-N
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