17β-Hydroxy-7Alpha-Methyl-5-Estren-3-One

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Properties Simple | Detailed

Formula C19H28O2
IUPAC Name (7s,8r,9s,10r,13s,14s,17s)-17-hydroxy-7,13-dimethyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 288.424 g·mol−1
Heat of Formation -484.0 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 373.61 Å 3
Surface Area 303.29 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8r,9s,10r,13s,14s,17s)-17-hydroxy-7,13-dimethyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • estr-5-en-3-one, 17-hydroxy-7-methyl-, (7alpha,17beta)-
  • rmi 14156
  • rmi-14156
CAS Number(s)
  • 50718-35-9
InChIKey RKBUNNDYKVHJKD-CFUSNLFHSA-N
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