(8Xi,9Xi,10Xi,13Xi,14Xi)-11,17,21-Trihydroxy-16-Methylenepregna-4,6-Diene-3,20-Dione

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Formula C22H28O5
IUPAC Name (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 372.455 g·mol−1
Heat of Formation -814.8 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 444.26 Å 3
Surface Area 341.49 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey MAAGHJOYEMWLNT-XUZCLIHGSA-N
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