Delmadinone

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Properties Simple | Detailed

Formula C21H25ClO3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
Molecular Mass 360.874 g·mol−1
Heat of Formation -484.9 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 423.42 Å 3
Surface Area 336.95 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-6-chloro-17-ethanoyl-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
InChIKey ZSAMZEYLGUEVJW-TTYLFXKOSA-N
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Elements H C O Cl