(6α)-17-Hydroxy-6-Methyl-3,20-Dioxopregn-4-En-21-Yl Acetate

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Properties Simple | Detailed

Formula C24H34O5
IUPAC Name [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 402.524 g·mol−1
Heat of Formation -1037.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 493.21 Å 3
Surface Area 384.39 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 6alpha-methyl-17alpha-hydroxy-11-deoxy-corticosterone-21-acetate
  • [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-3-keto-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • acetic acid [2-[(6s,8r,9s,10r,13s,14s,17r)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • mhdcc-21
  • pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-
CAS Number(s)
  • 3386-03-6
InChIKey NTEWNLYJODFHQS-USTFCYDESA-N
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