Aldosterone 21-Acetate

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Properties Simple | Detailed

Formula C23H30O6
IUPAC Name [2-[(8s,9s,10r,11s,13r,14s,17s)-13-formyl-11-hydroxy-10-methyl-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 402.481 g·mol−1
Heat of Formation -1084.5 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 476.99 Å 3
Surface Area 365.76 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-13-methanoyl-10-methyl-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,11s,13r,14s,17s)-13-formyl-11-hydroxy-10-methyl-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,11s,13r,14s,17s)-13-formyl-11-hydroxy-10-methyl-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,11s,13r,14s,17s)-13-formyl-11-hydroxy-10-methyl-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-[(8s,9s,10r,11s,13r,14s,17s)-13-formyl-11-hydroxy-3-keto-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • aldosterone monoacetate, d-
  • aldosterone, monoacetate
  • aldosterone-21-acetate
  • aldosterone-21-monoacetate, d-
  • aldosterone-21-monoacetate, dl-
  • pregn-4-en-18-al, 11,21-dihydro-3,20-dioxo-, monoacetate, (11beta)-
  • pregn-4-en-18-al, 21-(acetyloxy)-11-hydroxy-3,20-dioxo-, (11.beta.)-
  • pregn-4-en-18-al, 21-(acetyloxy)-11-hydroxy-3,20-dioxo-, (11beta)- (9ci)
CAS Number(s)
  • 297-91-6
  • 29591-89-7
InChIKey HCJKXXMOOMBBPY-IEJDVFFQSA-N
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