(11β,17Alpha)-4-Chloro-11-Hydroxy-17-Methylandrosta-1,4-Dien-3-One

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Properties Simple | Detailed

Formula C20H27ClO2
IUPAC Name (8s,9s,10r,11s,13r,14s,17r)-4-chloro-11-hydroxy-10,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 334.880 g·mol−1
Heat of Formation -431.4 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 404.68 Å 3
Surface Area 318.3 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13r,14s,17r)-4-chloro-11-hydroxy-10,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • 4-chloro-11-hydroxy-17-methylandrosta-1,4-dien-3-one
  • androsta-1,4-dien-3-one, 4-chloro-11-hydroxy-17-methyl-, (11beta,17alpha)-
  • chmado
CAS Number(s)
  • 92780-95-5
InChIKey VIAIGQVJWRBFJB-LLRJTIAOSA-N
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Elements H C O Cl