(3α,5Beta,11Beta,20S)-Pregnane-3,11,17,20-Tetrol

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Formula C21H36O4
IUPAC Name (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
Molecular Mass 352.508 g·mol−1
Heat of Formation -1017.8 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 442.29 Å 3
Surface Area 336.32 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
  • 5beta-pregnane-3alpha,11beta,17,20alpha-tetrol
  • pregnane-3,11,17,20-tetrol, (3alpha,5beta,11beta,20s)-
CAS Number(s)
  • 1242-48-4
InChIKey CQRHDJNAPDZBCN-ZCXVUIRUSA-N
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