(3α,5Beta)-3,17-Dihydroxypregnane-11,20-Dione

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name (3r,5r,8s,9s,10s,13s,14s,17r)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
Molecular Mass 348.476 g·mol−1
Heat of Formation -932.4 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 433.2 Å 3
Surface Area 333.11 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,13s,14s,17r)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
  • (3r,5r,8s,9s,10s,13s,14s,17r)-17-ethanoyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
  • 17alpha-hydroxy-11-ketopregnanolone
  • 3alpha,17-dihydroxy-5beta-pregnane-11,20-dione
  • 3alpha,17alpha-dihydroxy-5beta-pregnane-11,20-dione
  • pregnane-11,20-dione, 3,17-dihydroxy-, (3.alpha.,5.beta.)-
CAS Number(s)
  • 641-78-1
InChIKey AYEXSTRNLGYBSQ-YOBHSKELSA-N
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