(2E)-2-(Hydroxymethylene)Pregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H30O3
IUPAC Name (2e,8s,9s,10r,13s,14s,17s)-17-acetyl-2-(hydroxymethylene)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 342.472 g·mol−1
Heat of Formation -582.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 435.83 Å 3
Surface Area 344.84 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,8s,9s,10r,13s,14s,17s)-17-acetyl-2-(hydroxymethylene)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (2e,8s,9s,10r,13s,14s,17s)-17-acetyl-2-(hydroxymethylidene)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (2e,8s,9s,10r,13s,14s,17s)-17-ethanoyl-2-(hydroxymethylidene)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 2-hm-progesterone
  • 2-hydroxymethyleneprogesterone
  • pregn-4-ene-3,20-dione, 2-(hydroxymethylene)-
CAS Number(s)
  • 1452-25-1
InChIKey MRMWKDZMKGYFIR-KTTOSLSVSA-N
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