16-Methylene-17α-Hydroxyprogesterone

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Properties Simple | Detailed

Formula C22H30O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 342.472 g·mol−1
Heat of Formation -577.0 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 434.0 Å 3
Surface Area 339.36 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-16-methylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • pregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-
CAS Number(s)
  • 3965-17-1
InChIKey CAHSRYQWSFJFGS-GUCLMQHLSA-N
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