2-Brom-6β,9-Difluor-11β,17,21-Trihydroxy-1,4-Pregnadien-3,20-Dion

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Formula C21H25BrF2O5
IUPAC Name (6r,8s,9r,10s,11s,13s,14s,17r)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 475.321 g·mol−1
Heat of Formation -1235.4 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 474.13 Å 3
Surface Area 364.37 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9r,10s,11s,13s,14s,17r)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s,17r)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s,17r)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s,17r)-2-bromo-6,9-difluoro-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChIKey MYZDPUZXMFCPMU-LRIWMWCYSA-N
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