3-Hydroxy-1-Methylestra-1,3,5(10)-Triene-11,17-Dione

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Properties Simple | Detailed

Formula C19H22O3
IUPAC Name (8s,9s,13s,14s)-3-hydroxy-1,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione
Molecular Mass 298.376 g·mol−1
Heat of Formation -526.7 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 363.12 Å 3
Surface Area 300.08 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s)-3-hydroxy-1,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione
  • (8s,9s,13s,14s)-3-hydroxy-1,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-quinone
  • 3-hydroxy-1-methyl-1,3,5(10)-estratriene-11,17-dione
  • estra-1,3,5(10)-triene-11,17-dione, 3-hydroxy-1-methyl-
  • hmetd
CAS Number(s)
  • 55675-00-8
InChIKey XDIANMSKTYRYAF-QAMTZSDWSA-N
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