Flumedroxone

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Properties Simple | Detailed

Formula C22H29F3O3
IUPAC Name (6s,8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 398.459 g·mol−1
Heat of Formation -1313.8 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 460.82 Å 3
Surface Area 358.7 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8r,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey CDZJOBWKHSYNMO-SCUQKFFVSA-N
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