16-A-Hydroxypregnenolone

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 1-[(3s,8s,9s,10r,13s,14s,16r,17r)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 332.477 g·mol−1
Heat of Formation -712.6 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 425.53 Å 3
Surface Area 335.67 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,16alpha)-3,16-dihydroxypregn-5-en-20-one
  • 1-[(3s,8s,9s,10r,13s,14s,16r,17r)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 16alpha-hydroxypregnenolone
  • 3beta,16alpha-dihydroxypregn-5-en-20-one
  • pregn-5-en-20-one, 3,16-dihydroxy-, (3beta,16alpha)-
CAS Number(s)
  • 520-88-7
InChIKey ZAKJZPQDUPCXSD-YRWKUUEZSA-N
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