(17β)-17,19-Dihydroxyandrost-4-En-3-One

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Properties Simple | Detailed

Formula C19H28O3
IUPAC Name (8r,9s,10s,13s,14s,17s)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 304.424 g·mol−1
Heat of Formation -638.3 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 382.83 Å 3
Surface Area 304.5 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10s,13s,14s,17s)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10s,13s,14s,17s)-17-hydroxy-13-methyl-10-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 17beta,19-dihydroxyandrost-4-en-3-one
  • 19-hydroxytestosterone
  • androst-4-en-3-one, 17,19-dihydroxy-, (17beta)-
  • lmst02020070
CAS Number(s)
  • 2126-37-6
InChIKey YLTCTXBDDHSLCS-KOUJMVCDSA-N
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