Atheran

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Properties Simple | Detailed

Formula C19H23ClO2
IUPAC Name (8r,9s,13s,14s,16r)-16-chloro-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 318.838 g·mol−1
Heat of Formation -382.9 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 380.84 Å 3
Surface Area 318.89 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r)-16-chloro-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 16-alpha-chloro-3-methoxy-estra-1,3,5,(10)-trien-17-one
  • 16-alpha-chloro-3-methoxyoestra-1,3,5(10)-trien-17-one
  • 16alpha-chloroestrone methyl ether
  • clomestrone
CAS Number(s)
  • 4091-75-2
InChIKey UQIPVSBPFZSWGD-ILYVXUQDSA-N
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