(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-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 C22H32O3
IUPAC Name (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Molecular Mass 344.488 g·mol−1
Heat of Formation -722.7 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 441.43 Å 3
Surface Area 346.46 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
  • (2s)-2-[(8s,9s,10r,13s,14s,17r)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propionic acid
InChIKey QETBTXOVEBTJQH-WAMTXRNCSA-N
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