(5α,20S)-17,20-Dihydroxypregnan-3-One

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Properties Simple | Detailed

Formula C21H34O3
IUPAC Name (5s,8r,9s,10s,13s,14s,17r)-17-hydroxy-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 334.493 g·mol−1
Heat of Formation -802.2 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 429.14 Å 3
Surface Area 332.73 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,13s,14s,17r)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17,20-dihydroxypregnan-3-one
  • 17,20alpha-p-5beta
  • 17alpha,20 alpha-dihydroxy-5beta-pregnan-3-one
  • pregnan-3-one, 17,20-dihydroxy-, (5alpha,20s)-
CAS Number(s)
  • 58701-87-4
InChIKey MPTVBUPVUGSWNS-KXJUVYHKSA-N
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