Chlormadinone

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Properties Simple | Detailed

Formula C21H27ClO3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 362.890 g·mol−1
Heat of Formation -605.0 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 428.24 Å 3
Surface Area 340.11 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-6-chloro-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey VUHJZBBCZGVNDZ-TTYLFXKOSA-N
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Elements H C O Cl