4-{[(8Xi,9Xi,14Xi,17β)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl]Amino}Butanoic Acid

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Formula C22H31NO3
IUPAC Name 4-[[(8s,9s,13s,14r,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid
Molecular Mass 357.486 g·mol−1
Heat of Formation -638.8 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 452.16 Å 3
Surface Area 371.79 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
InChIKey XVHWIBHQOHTZNS-JRHPMUGDSA-N
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