[(15α,17Beta)-17-Hydroxy-3-Oxoandrost-4-En-15-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name 2-[(8r,9s,10r,13s,14s,15r,17s)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
Molecular Mass 346.461 g·mol−1
Heat of Formation -875.7 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 429.07 Å 3
Surface Area 340.42 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 15-carboxymethyltestosterone
  • 15alpha-cmt
  • 15beta-cmt
  • 2-[(8r,9s,10r,13s,14s,15r,17s)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
  • 2-[(8r,9s,10r,13s,14s,15r,17s)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]ethanoic acid
  • 2-[(8r,9s,10r,13s,14s,15r,17s)-17-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
  • androst-4-ene-15-acetic acid, 17-hydroxy-3-oxo-, (15alpha,17beta)-
CAS Number(s)
  • 65423-15-6
InChIKey JEFNUUSOAVNJKC-PVXGZESHSA-N
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