21-Hydroxy-2,2-Dimethyl-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H32O3
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 344.488 g·mol−1
Heat of Formation -664.9 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 444.32 Å 3
Surface Area 355.1 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyethanoyl)-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-glycoloyl-2,2,13-trimethyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 19-norpregn-4-ene-3,20-dione, 21-hydroxy-2,2-dimethyl-
  • ru-24411
CAS Number(s)
  • 66878-01-1
InChIKey AZWADIJRMQEJIN-LKZGGBSQSA-N
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