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-[[(8r,9r,13r,14s,17r)-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 -644.4 ± 16.7 kJ·mol−1
Dipole Moment 0.62 ± 1.08 D
Volume 451.91 Å 3
Surface Area 362.17 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
InChIKey XVHWIBHQOHTZNS-DNVBULBTSA-N
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