3-[(7R,8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-7-Propyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid

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Formula C25H38O4
IUPAC Name 3-[(7r,8r,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid
Molecular Mass 402.567 g·mol−1
Heat of Formation -978.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 517.72 Å 3
Surface Area 402.9 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(7r,8r,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid
  • 3-[(7r,8r,9s,10r,13s,14s,17r)-17-hydroxy-3-keto-10,13-dimethyl-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]propionic acid
InChIKey DNHCHRGCTVRAFT-JEHIOXJOSA-N
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