3-Methoxyestra-1,3,5(10)-Triene

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Properties Simple | Detailed

Formula C19H26O
IUPAC Name (8s,9s,13s,14s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Molecular Mass 270.409 g·mol−1
Heat of Formation -221.8 ± 16.7 kJ·mol−1
Dipole Moment 0.94 ± 1.08 D
Volume 353.19 Å 3
Surface Area 300.33 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
  • estra-1,3,5(10)-triene, 3-methoxy-
CAS Number(s)
  • 14550-57-3
InChIKey UHDFDVNBHMUVOO-YRXWBPOGSA-N
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