(17β)-17-[(6-Hydroxyhexyl)Amino]Estra-1,3,5(10)-Trien-3-Ol

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Formula C24H37NO2
IUPAC Name (8r,9s,13s,14s,17s)-17-(6-hydroxyhexylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 371.556 g·mol−1
Heat of Formation -475.3 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 492.8 Å 3
Surface Area 422.03 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-(6-hydroxyhexylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • estra-1,3,5(10)-trien-3-ol, 17-((6-hydroxyhexyl)amino)-, (17beta)-
  • estra-1,3,5(10)-trien-3-ol, 17-[(6-hydroxyhexyl)amino]-, (17.beta.)-
  • hexolame
  • n-(3-hydroxy-1,3,5(10)-estratrien 17-yl)-6-hydroxyhexylamine
CAS Number(s)
  • 110346-23-1
InChIKey DPRSBWGNESQTLG-DJCPXJLLSA-N
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