17β-Hydroxy-2-Hydroxymethylene-5Alpha-Androstan-3-One

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (2z,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2-(hydroxymethylene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -651.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 405.71 Å 3
Surface Area 321.79 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 3.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2-(hydroxymethylene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (2z,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-2-(hydroxymethylene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 4,5-alpha-dihydro-2-testosterone
  • 4,5alpha-dihydro-2-(hydroxymethylene)testosterone
  • 5.alpha.-androstan-3-one, 17.beta.-hydroxy-2-(hydroxymethylene)-
  • testosterone, 4,5.alpha.-dihydro-2-(hydroxymethylene)-
CAS Number(s)
  • 4033-95-8
InChIKey DKCLFTBKKHWBQS-CVEXGSQQSA-N
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