5B-Pregnane-3A,17A,20A-Triol

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Formula C21H36O3
IUPAC Name (3r,5r,8r,9s,10s,13s,14s,17r)-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 336.509 g·mol−1
Heat of Formation -846.5 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 435.33 Å 3
Surface Area 335.28 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (20r)-5beta-pregnane-3alpha,17,20-triol
CAS Number(s)
  • 1165-28-2
InChIKey SCPADBBISMMJAW-OYMMSLOLSA-N
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Elements H C O