3α,15Beta,17α-Trihydroxy-5Beta-Pregnan-20-One

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Properties Simple | Detailed

Formula C21H34O4
IUPAC Name 1-[(3r,5r,8r,9s,10s,13s,14s,15r,17r)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 350.492 g·mol−1
Heat of Formation -964.1 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 439.45 Å 3
Surface Area 336.82 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,8r,9s,10s,13s,14s,15r,17r)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3,15,17-th-5p
  • 3,15,17-trihydoxy-5alpha-pregnan-20-one
  • 3,15,17-trihydroxypregnan-20-one
  • pregnan-20-one, 3,15,17-trihydroxy-, (3alpha,5beta,15beta)-
CAS Number(s)
  • 80380-41-2
InChIKey AIEUQVDPBZPTSV-VSAGWDKDSA-N
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