16α-Hydroxytestosterone

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (8r,9s,10r,13s,14s,16r,17r)-16,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 304.424 g·mol−1
Heat of Formation -656.3 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 385.55 Å 3
Surface Area 306.03 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,16r,17r)-16,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 16-hydroxytestosterone
  • 16alpha,17beta-dihydroxy-4-androsten-3-one
  • androst-4-en-3-one, 16,17-dihydroxy-, (16alpha,17beta)- (9ci)
CAS Number(s)
  • 63-01-4
InChIKey YMCWOAZGWMZGQT-FPNLOETNSA-N
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