(11β,16β)-9-Fluoro-11,17-Dihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl Valerate

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Properties Simple | Detailed

Formula C27H37FO6
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate
Molecular Mass 476.577 g·mol−1
Heat of Formation -1357.0 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 570.64 Å 3
Surface Area 448.32 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate
  • [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
  • betamethasone 21-valerate
  • pentanoic acid [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxopentyl)oxy)-, (11beta,16beta)-
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17-dihydroxy-16beta-methyl-21-((1-oxopentyl)oxy)-
  • valeric acid [2-[(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
CAS Number(s)
  • 2240-28-0
  • 31261-42-4
InChIKey FEROCCAEIIKMJT-SUYDQAKGSA-N
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