(11β)-11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl (2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrienoate

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Properties Simple | Detailed

Formula C36H34O6
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-oxoethyl] (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoate
Molecular Mass 562.652 g·mol−1
Heat of Formation -1097.2 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 744.99 Å 3
Surface Area 602.25 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoic 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
  • (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoic 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] (2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoate
  • d01998
  • farnerate
  • farnerate gel
  • farnezone
  • pnf 21
  • pnf-21
  • prednisolone farnesylate
  • prednisolone farnesylate (jan)
  • pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-((3,7,11-trimethyl-1-oxo-2,6,10-dodecatrienyl)-oxy)-, (11beta,21(2e,6e))-
CAS Number(s)
  • 118244-44-3
InChIKey SBQAKZYUNWNIRL-WIPKXTQKSA-N
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