(1R,3R,7E,17β)-17-[(6R)-1,1,1-Trifluoro-2,10-Dihydroxy-10-Methyl-2-(Trifluoromethyl)-3-Undecyn-6-Yl]-9,10-Secoestra-5,7-Diene-1,3-Diol

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Formula C31H44F6O4
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methyl-pentyl)-5-(trifluoromethyl)hex-3-ynyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Molecular Mass 594.669 g·mol−1
Heat of Formation -2122.3 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 716.02 Å 3
Surface Area 528.03 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey RAYDHJNMFBHXHA-DUSBBPLISA-N
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