18-Hydroxyprogesterone

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8r,9s,10r,13r,14s,17s)-17-acetyl-13-(hydroxymethyl)-10-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 -650.9 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 418.14 Å 3
Surface Area 326.96 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13r,14s,17s)-17-acetyl-10-methyl-13-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17s)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17s)-17-ethanoyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 18-hydroxypregn-4-ene-3,20-dione
CAS Number(s)
  • 596-69-0
InChIKey QFNCSEWPJSDMED-OFELHODLSA-N
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