(11β)-11-Hydroxy-3,20-Dioxo-21-(Propionylsulfanyl)Pregn-4-En-17-Yl Butyrate

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Properties Simple | Detailed

Formula C26H14O6S
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
Molecular Mass 454.451 g·mol−1
Heat of Formation -1220.1 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 615.77 Å 3
Surface Area 479.22 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
  • butanoic acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-(1-oxopropylthio)ethyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • butixocort 21-propionate
  • butyric acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-3-keto-10,13-dimethyl-17-[2-(propionylthio)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • jo 1222
  • jo-1222
  • pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-((1-oxopropyl)thio)-, (11beta)-
CAS Number(s)
  • 98449-05-9
InChIKey CDKNUFNIFGPFSF-AYVLZSQQSA-N
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