3A,11B,17,21-Tetrahydroxy-5B-Pregnan-20-One

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name 2-hydroxy-1-[(3r,5r,8s,9s,10s,11s,13s,14s,17r)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 366.492 g·mol−1
Heat of Formation -1122.1 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 449.71 Å 3
Surface Area 343.39 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 3.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-1-[(3r,5r,8s,9s,10s,11s,13s,14s,17r)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3-alpha,11-beta,17,21-tetrahydroxy-5-beta-pregnan-20-one
  • 3.alpha.,11.beta.,17,21-tetrahydroxypregnan-20-one
  • 3.alpha.,5.beta.-tetrahydrocortisol
  • 3alpha,11beta,17,21-tetrahydroxy-5beta-pregnan-20-one
  • 3alpha,11beta,17,21-tetrahydroxypregnan-20-one
  • 3alpha,5beta-tetrahydrocortisol
  • 5-beta-pregnan-20-one, 3-alpha,11-beta,17,21-tetrahydroxy-
  • 5-beta-tetrahydrocortisol
  • 5.beta.-pregnan-20-one, 3.alpha.,11.beta.,17,21-tetrahydroxy-
  • 5.beta.-tetrahydrocortisol
  • 5beta-pregnan-20-one, 3alpha,11beta,17,21-tetrahydroxy-
  • 5beta-pregnan-20-one, 3alpha,11beta,17,21-tetrahydroxy- (8ci)
  • 5beta-tetrahydrocortisol
  • ba 2682
  • pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3.alpha.,5.beta.,11.beta.)-
  • pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3alpha,5beta,11beta)-
  • pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3alpha,5beta,11beta)- (9ci)
  • tetrahydrocompound f
  • tetrahydrohydrocortisone
  • urocortisol
CAS Number(s)
  • 53-02-1
InChIKey AODPIQQILQLWGS-GXBDJPPSSA-N
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