3β,11Alpha,15β-Trihydroxy-5-Pregnen-20-One

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name 1-[(3s,8s,9s,10r,11r,13s,14s,15r,17s)-3,11,15-trihydroxy-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 348.476 g·mol−1
Heat of Formation -896.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 433.78 Å 3
Surface Area 337.99 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,8s,9s,10r,11r,13s,14s,15r,17s)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3,11,15-thpo
  • pregn-5-en-20-one, 3,11,15-trihydroxy-, (3beta,11alpha,15beta)-
CAS Number(s)
  • 78806-45-8
InChIKey KGUIRCJFUORGCN-DWHPWSNTSA-N
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