Diflorasone

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Formula C22H28F2O5
IUPAC Name (6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 410.452 g·mol−1
Heat of Formation -1278.5 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 463.87 Å 3
Surface Area 354.29 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 2557-49-5
InChIKey WXURHACBFYSXBI-XHIJKXOTSA-N
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