({(E)-[(3E,17β)-17-Hydroxyandrost-4-En-3-Ylidene]Amino}Oxy)Acetic Acid

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Properties Simple | Detailed

Formula C21H31NO4
IUPAC Name 2-[(e)-[(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
Molecular Mass 361.475 g·mol−1
Heat of Formation -680.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 450.58 Å 3
Surface Area 369.59 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-hydroxy-4-androsten-3-one 3-(o-carboxymethyl)oxime
  • 2-[[(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
  • 2-[[(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyethanoic acid
  • 4-androsten-17beta-ol-3-one 3-(o-carboxymethyl)oxime
  • testosterone 3-(o-carboxymethyl)oxime
InChIKey VDYLVWGBLQNNAW-UVTKPVMCSA-N
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