Meclorisone

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Properties Simple | Detailed

Formula C22H28Cl2O4
IUPAC Name (8s,9r,10s,11s,13s,14s,16r,17r)-9,11-dichloro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 427.361 g·mol−1
Heat of Formation -853.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 474.19 Å 3
Surface Area 355.25 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9,11-dichloro-17-glycoloyl-17-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9,11-dichloro-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9,11-dichloro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9,11-dichloro-17-hydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChIKey OKWSMPYQIYKVDC-CXSFZGCWSA-N
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