(3β)-17-Acetoxy-6-Methyl-20-Oxopregna-4,6-Dien-3-Yl 3-Cyclopentylpropanoate

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Properties Simple | Detailed

Formula C32H46O5
IUPAC Name [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
Molecular Mass 510.705 g·mol−1
Heat of Formation -1109.8 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 648.83 Å 3
Surface Area 519.61 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyclopentylpropanoic acid [(3s,8r,9s,10r,13s,14s,17r)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
  • 3-cyclopentylpropionic acid [(3s,8r,9s,10r,13s,14s,17r)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
  • [(3s,8r,9s,10r,13s,14s,17r)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
  • [(3s,8r,9s,10r,13s,14s,17r)-17-acetyloxy-17-ethanoyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
  • cymegesolate
  • pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3-beta)-
  • progestagen i
  • progestin i
CAS Number(s)
  • 72648-88-5
  • 79679-45-1
InChIKey WAHQVRCNDCHDIB-QZYSPNBYSA-N
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