15A,16A-Dihydro-17-Hydroxy-7A-Mercapto-3-Oxo-3'H-Cyclopropa(15,16)-17A-Pregna-1,4,15-Triene-21-Carboxylic Acid G-Lactone Acetate

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Properties Simple | Detailed

Formula C25H30O4S
IUPAC Name mespirenone [inn]
Molecular Mass 426.568 g·mol−1
Heat of Formation -548.9 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 506.66 Å 3
Surface Area 387.9 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 15alpha,16alpha-dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'h-cyclopropa(15,16)-17alpha-pregna-1,4,15-triene-21-carboxylic acid, gamma-lactone, acetate
  • 7alpha-acetylthio-15beta,16beta-methylen-3-oxo-1,4-pregnadien-21,17beta-carbolacton
  • mespirenone
  • mespirenonum [latin]
  • sh-467
CAS Number(s)
  • 87952-98-5
InChIKey CPHJTSJQUQZOLJ-ISIDMKFXSA-N
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