3β,16Alpha,19-Trihydroxy-5-Androsten-17-One

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Properties Simple | Detailed

Formula C19H28O4
IUPAC Name (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 320.423 g·mol−1
Heat of Formation -813.7 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 393.05 Å 3
Surface Area 310.64 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 3.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • (3s,8r,9s,10s,13s,14s,16r)-3,16-dihydroxy-13-methyl-10-methylol-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChIKey DAFZPRAMJKYZNI-PMIQAHKFSA-N
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