6-Methylenepregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H30O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-6-methylene-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 326.472 g·mol−1
Heat of Formation -405.7 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 424.06 Å 3
Surface Area 334.04 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-6-methylene-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-6-methylidene-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-6-methylidene-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 6-methylene-4-pregnene-3,20-dione
  • 6-methyleneprogesterone
  • pregn-4-ene-3,20-dione, 6-methylene-
CAS Number(s)
  • 19457-57-9
InChIKey BKWJSCFKITXBBM-NTNOATJHSA-N
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