(3β,20S)-Pregn-5-Ene-3,17,20-Triol

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Properties Simple | Detailed

Formula C21H34O3
IUPAC Name (3s,8r,9s,10r,13s,14s,17r)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 334.493 g·mol−1
Heat of Formation -767.1 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 429.69 Å 3
Surface Area 335.49 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,13s,14s,17r)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
  • 5-pregnene-3beta,17alpha,20alpha-triol
  • delta 5-pregnenetriol
  • pregn-5-ene-3,17,20-triol, (3beta,20s)-
  • pregn-5-ene-3beta,17alpha,20alpha-triol
CAS Number(s)
  • 903-67-3
InChIKey XGUQCUDPXSTKLI-PUOFRWEFSA-N
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