(3β,5Alpha,6β,17β)-Androstane-3,6,17-Triol

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Formula C19H32O3
IUPAC Name (3s,5s,6r,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,6,17-triol
Molecular Mass 308.456 g·mol−1
Heat of Formation -786.6 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 393.88 Å 3
Surface Area 310.12 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,6r,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,6,17-triol
InChIKey OFAZPSYXUKIJIK-AWOFKVEHSA-N
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