(16α)-16-Ethyl-3,20-Dioxo-19-Norpregn-4-En-21-Yl Laurate

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Properties Simple | Detailed

Formula C28H18O4
IUPAC Name [2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dodecanoate
Molecular Mass 418.440 g·mol−1
Heat of Formation -1070.0 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 709.94 Å 3
Surface Area 594.42 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • 16-alpha-ethyl-21-((1-oxododecyl)oxy)-19-norpregn-4-ene-3,20-dione
  • 16-alpha-ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-dodecanoate
  • 16alpha-ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-laurate
  • 19-norpregn-4-ene-3,20-dione, 16-ethyl-21-((1-oxododecyl)oxy)-, (16-alpha)-
  • [2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dodecanoate
  • dodecanoic acid [2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • lauric acid [2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • org 2154
CAS Number(s)
  • 67490-00-0
InChIKey JOOLBCGLEHQEHM-LKOKKDIWSA-N
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