(9Xi)-9-Fluoro-21-Hydroxypregn-4-Ene-3,20-Dione

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Formula C21H29FO3
IUPAC Name (8s,9r,10s,13s,14s,17s)-9-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 348.452 g·mol−1
Heat of Formation -839.0 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 422.7 Å 3
Surface Area 331.53 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey UXLJMXVZZYLZMP-LZQVICCCSA-N
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