(3α,5Beta)-3,18,21-Trihydroxypregnane-11,20-Dione

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Formula C21H32O5
IUPAC Name (3r,5s,8s,9s,10s,13r,14r,17s)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Molecular Mass 364.476 g·mol−1
Heat of Formation -1082.7 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 442.37 Å 3
Surface Area 343.0 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
InChIKey UQRPWWKJWZFNAE-TZSLCUHESA-N
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