(17β)-Androst-5-Ene-17-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
Molecular Mass 302.451 g·mol−1
Heat of Formation -549.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 388.84 Å 3
Surface Area 311.01 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid
  • 5-androstene-17beta-carboxylic acid
  • 5-etienic acid
  • androst-5-ene-17-carboxylic acid, (17beta)-
CAS Number(s)
  • 438-10-8
InChIKey GHJGFBLULGDFKQ-UDCWSGSHSA-N
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