(3α,5Beta,11Beta,20R)-Pregnane-3,11,17,20,21-Pentol

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Formula C21H36O5
IUPAC Name (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-[(1r)-1,2-dihydroxyethyl]-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 368.508 g·mol−1
Heat of Formation -1195.5 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 453.58 Å 3
Surface Area 346.87 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,11s,13s,14s,17r)-17-[(1r)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
  • pregnane-3,11,17,20,21-pentol, (3.alpha.,5.beta.,11.beta.,20r)-
CAS Number(s)
  • 667-65-2
InChIKey FFPUNPBUZDTHJI-ZFOKFBPFSA-N
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