3B,15B,17A-Trihydroxy-5-Pregnen-20-One

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name 1-[(3s,8r,9s,10r,13s,14s,15r,17r)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 348.476 g·mol−1
Heat of Formation -895.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 432.08 Å 3
Surface Area 336.35 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,8r,9s,10r,13s,14s,15r,17r)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3,15,17-thp-20
  • 3beta,15beta,17alpha-trihydroxy-5-pregnen-20-one
  • pregn-5-en-20-one, 3,15,17-trihydroxy-, (3beta,15beta)-
CAS Number(s)
  • 80380-40-1
InChIKey VWUZUCWRCBMJNW-YZUCACDQSA-N
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