1β,3β,5,6β-Tetrahydroxy-5Alpha-Androstan-17-One

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Formula C19H30O5
IUPAC Name (1r,3s,5r,6r,8r,9s,10s,13s,14s)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-one
Molecular Mass 338.439 g·mol−1
Heat of Formation -1100.1 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 407.63 Å 3
Surface Area 315.78 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5r,6r,8r,9s,10s,13s,14s)-1,3,5,6-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-one
  • 1,3,5,6-tetrahydroxyandrostan-17-one
  • 1,3,5,6-thao
  • androstan-17-one, 1,3,5,6-tetrahydroxy-, (1beta,3beta,5alpha,6beta)-
CAS Number(s)
  • 90134-60-4
InChIKey ONHQGXIEYFYVDF-MESRZZFMSA-N
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