Doxo

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 372.498 g·mol−1
Heat of Formation -831.1 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 466.12 Å 3
Surface Area 368.15 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 11-deoxycorticosterone acetate
  • 21-acetoxy-4-pregnene-3,20-dione
  • 21-acetoxypregn-4-ene-3,20-dione
  • 21-acetoxyprogesterone
  • 21-hydroxy-4-pregnene-3,20-dione 21-acetate
  • 21-hydroxyprogesterone 21-acetate
  • 3,20-dioxopregn-4-en-21-yl acetate
  • 4-pregnen-21-ol-3,20-dione 21-acetate
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • acetic acid [2-keto-2-[(8s,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester
  • acon1_002189
  • cortexone acetate
  • cortormon
  • d03698
  • dca (van)
  • decosteron
  • deoxycorticosterone acetate
  • desoxycorticosterone acetate (usp)
  • desoxycorticosterone-21-acetate
  • desoxycortonum
  • desoxykorton
  • doc acetate
  • doca
  • megxm0_000470
  • percortene
CAS Number(s)
  • 56-47-3
  • 106111-90-4
  • 39282-34-3
InChIKey VPGRYOFKCNULNK-ACXQXYJUSA-N
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