Prednisolone Tebutate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H38O6
IUPAC Name [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate
Molecular Mass 458.587 g·mol−1
Heat of Formation -1180.1 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 564.6 Å 3
Surface Area 432.68 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate
  • 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
  • 3,3-dimethylbutanoic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • 3,3-dimethylbutyric acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
  • d00982
  • hydeltra-t.b.a.
  • hydeltra-tba
  • predalone t.b.a.
  • prednisolone 21-tert-butylacetate
  • prednisolone butyl acetete
  • prednisolone tebutate (jan/usp)
  • pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-((3,3-dimethyl-1-oxobutyl)oxy)-, (11beta)-
  • pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11beta)-
CAS Number(s)
  • 7681-14-3
InChIKey HUMXXHTVHHLNRO-KAJVQRHHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O