3,20-Dioxopregn-4-En-21-Yl Acrylate

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Properties Simple | Detailed

Formula C24H32O4
IUPAC Name [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] prop-2-enoate
Molecular Mass 384.508 g·mol−1
Heat of Formation -726.1 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 484.31 Å 3
Surface Area 377.06 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 21-acryloxyprogesterone
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] prop-2-enoate
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
  • pregn-4-ene-3,20-dione, 21-((1-oxo-2-propenyl)oxy)-
  • prop-2-enoic acid [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
CAS Number(s)
  • 27953-65-7
InChIKey BIFACLOIZIKJPO-ZEQQQVMLSA-N
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