(6β,9Xi,11β,14Xi,17Xi)-6,11,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione

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Formula C21H28O6
IUPAC Name (6s,8s,9s,10r,11r,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-one
Molecular Mass 376.443 g·mol−1
Heat of Formation -1040.1 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 442.6 Å 3
Surface Area 347.99 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey LJGWPGVRXUUNAG-FUHFQSMCSA-N
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