Dermocid

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Formula C23H28Cl2O5
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 455.371 g·mol−1
Heat of Formation -1026.1 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 498.86 Å 3
Surface Area 374.84 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • acetic acid [2-[(8s,9r,10s,11s,13s,14s,17r)-9,11-dichloro-17-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
InChIKey YNNURTVKPVJVEI-GSLJADNHSA-N
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