3β,15Alpha-Dihydroxy-5-Pregnen-20-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 1-[(3s,8r,9s,10r,13s,14s,15s,17s)-3,15-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 -710.5 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 423.55 Å 3
Surface Area 334.6 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,8r,9s,10r,13s,14s,15s,17s)-3,15-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3,15-dihydroxy-5-pregnen-20-one
  • 3beta,15beta-dihydroxy-5-pregnen-20-one
CAS Number(s)
  • 32746-93-3
InChIKey BADMFWCUKIKZMJ-SSCQCSDVSA-N
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