(3β,5Alpha,16Alpha)-17-Hydroxy-16-Methyl-20-Oxopregnan-3-Yl Acetate

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Formula C24H38O4
IUPAC Name [(3s,5s,8r,9s,10s,13s,14s,16r,17r)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 390.556 g·mol−1
Heat of Formation -1014.2 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 495.54 Å 3
Surface Area 390.8 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 16-mdpoa
  • 16-methyl-3,17-dihydroxy-5alpha-pregnane-20-one-3-acetate
  • 16-methyl-3,17-dihydroxypregnane-20-one-3-acetate
  • [(3s,5s,8r,9s,10s,13s,14s,16r,17r)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,5s,8r,9s,10s,13s,14s,16r,17r)-17-ethanoyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,5s,8r,9s,10s,13s,14s,16r,17r)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
  • pregnan-20-one, 3-(acetyloxy)-17-hydroxy-16-methyl-, (3beta,5alpha,16alpha)-
CAS Number(s)
  • 16980-67-9
InChIKey GULJKNFZYNULNM-NZINOJMGSA-N
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