3-Methoxyestra-1,3,5(10)-Trien-17-β-Ol

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Properties Simple | Detailed

Formula C19H26O2
IUPAC Name (8r,9s,13s,14s,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Molecular Mass 286.409 g·mol−1
Heat of Formation -392.7 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 364.43 Å 3
Surface Area 307.3 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
  • 17.beta.-estradiol 3-methyl ether
  • bb_nc-0102
  • estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17.beta.)-
  • estra-1,3,5(10)-trien-17.beta.-ol, 3-methoxy-
  • estradiol 3-methyl ether
CAS Number(s)
  • 1035-77-4
InChIKey ULAADVBNYHGIBP-GFEQUFNTSA-N
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