19-Hydroxypregn-4-Ene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8s,9s,10s,13s,14s,17s)-17-acetyl-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 330.461 g·mol−1
Heat of Formation -646.4 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 415.62 Å 3
Surface Area 326.86 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s,17s)-17-acetyl-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13s,14s,17s)-17-acetyl-13-methyl-10-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13s,14s,17s)-17-ethanoyl-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 19-hydroxyprogesterone
  • pregn-4-ene-3,20-dione, 19-hydroxy-
CAS Number(s)
  • 26360-41-8
  • 596-63-4
InChIKey FIHWBGCIKMXLBI-NXMWLWCLSA-N
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