(17α)-17-Hydroxy-3-Oxoandrost-4-Ene-17-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
Molecular Mass 332.434 g·mol−1
Heat of Formation -842.3 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 404.07 Å 3
Surface Area 319.16 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
InChIKey WOUANBAHNXSTSL-VRYCVARASA-N
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