17-(Hydroxymethyl)Pregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H32O3
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-acetyl-17-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 344.488 g·mol−1
Heat of Formation -663.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 435.39 Å 3
Surface Area 337.38 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-17-methylol-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-acetyl-17-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-ethanoyl-17-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hydroxymethylprogesterone
  • pregn-4-ene-3,20-dione, 17-(hydroxymethyl)-
CAS Number(s)
  • 65968-94-7
InChIKey NDRZPEKKCFHARJ-GUCLMQHLSA-N
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