3,20-Dioxopregna-4,9(11)-Dien-21-Yl Acetate

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Properties Simple | Detailed

Formula C23H30O4
IUPAC Name [2-[(8s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 370.482 g·mol−1
Heat of Formation -743.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 462.11 Å 3
Surface Area 368.4 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 9,11-dehydro-desoxycorticosterone 21-acetate
  • 9,11-dehydro-doca
  • 9,11-dehydrodeoxycorticosterone 21-acetate
  • [2-[(8s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(8s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(8s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(8s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • acetic acid [2-keto-2-[(8s,10s,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester
  • pregna-4,9(11)-diene-3,20-dione, 21-(acetyloxy)-
CAS Number(s)
  • 4780-55-6
InChIKey RXNMVTIOVLVLKE-CQRJNKKSSA-N
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