6A,7A-Dihydro-17-Hydroxy-3-Oxo-3'H-Cyclopropa[6,7]-17A-Pregna-4,6-Diene-21-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name 6a,7a-dihydro-17-hydroxy-3-oxo-3'h-cyclopropa[6,7]-17a-pregna-4,6-diene-21-carboxylic acid
Molecular Mass 372.498 g·mol−1
Heat of Formation -782.6 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 464.9 Å 3
Surface Area 366.75 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 3'h-cyclopropa(6,7)pregna-4,6-diene-21-carboxylic acid, 6,7-dihydro-17-hydroxy-3-oxo-, (6alpha,7alpha,17alpha)-
  • 6alpha,7alpha-dihydro-17-hydroxy-3-oxo-3'h-cyclopropa(6,7)-17alpha-pregna-4,6-diene-21-carboxylic acid
  • prorenoate
CAS Number(s)
  • 96626-94-7
InChIKey OHZWNMVYJJTNKU-VAFIVCJBSA-N
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