Domoprednate

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Properties Simple | Detailed

Formula C26H36O5
IUPAC Name [(1r,4as,4bs,10ar,10bs,11s,12as)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
Molecular Mass 428.561 g·mol−1
Heat of Formation -991.0 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 525.26 Å 3
Surface Area 404.57 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta,17a-dihydroxy-d-homopregna-1,4-diene-3,20-dione 17a-butyrate
  • 11beta-hydroxy-d-homopregna-1,4-diene-3,20-dione 17a-butyrate
  • [(1r,4as,4bs,10ar,10bs,11s,12as)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
  • [(1r,4as,4bs,10ar,10bs,11s,12as)-1-ethanoyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
  • butanoic acid [(1r,4as,4bs,10ar,10bs,11s,12as)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] ester
  • butyric acid [(1r,4as,4bs,10ar,10bs,11s,12as)-1-acetyl-11-hydroxy-8-keto-10a,12a-dimethyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] ester
  • dromoprednate
  • ro-12-7024
CAS Number(s)
  • 66877-67-6
InChIKey IYBYNRHXGXDDDS-VRRJBYJJSA-N
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