17α-Hydroperoxyprogesterone

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -571.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 428.87 Å 3
Surface Area 335.95 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroperoxy-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,17r)-17-ethanoyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • pregn-4-ene-3,20-dione, 17-hydroperoxy-
  • progesterone 17alpha-hydroperoxide
CAS Number(s)
  • 28990-01-4
InChIKey WEHDHEBJGVDJTK-CEGNMAFCSA-N
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