(16α,17Beta)-3-Methoxy-16-(Methylamino)Estra-1,3,5(10)-Trien-17-Ol

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Formula C20H29NO2
IUPAC Name (8r,9s,13s,14s,16r,17r)-3-methoxy-13-methyl-16-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Molecular Mass 315.450 g·mol−1
Heat of Formation -376.4 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 401.19 Å 3
Surface Area 336.54 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17r)-3-methoxy-13-methyl-16-methylamino-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
  • 16-methylamino-3-methoxy-1,3,5-estratrien-17-ol
  • ent-16alpha-methylamino-3-methoxy-1,3,5(10)-estratrien-17beta-ol
  • estra-1,3,5(10)-trien-17-ol, 3-methoxy-16-(methylamino)-, (16alpha,17beta)-
  • mamoet
CAS Number(s)
  • 90193-07-0
InChIKey JAAUZDAEYKKKSW-NADOGSGZSA-N
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