(17β)-17-[(4-Hydroxybutyl)Amino]Estra-1,3,5(10)-Trien-3-Ol

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Formula C22H33NO2
IUPAC Name (8r,9s,13s,14r,17s)-17-(4-hydroxybutylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 343.503 g·mol−1
Heat of Formation -457.3 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 448.33 Å 3
Surface Area 380.43 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
InChIKey AXFQQAQJYIXKGS-YXIAPDDASA-N
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