Aetiocholanic Acid

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Properties Simple | Detailed

Formula C20H32O2
IUPAC Name (5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
Molecular Mass 304.467 g·mol−1
Heat of Formation -622.1 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 398.46 Å 3
Surface Area 313.97 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
  • androstane carboxylic acid
  • androstane-17-carboxylic acid, (5beta,17beta)-
  • etianic acid
  • etiocholanic acid
CAS Number(s)
  • 438-08-4
InChIKey PBXJGQQGODZSQR-WQBJWTDHSA-N
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