(5β,11Alpha,13Xi)-18,21-Dihydroxy-11,18-Epoxypregnane-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (5beta,11alpha,13xi)-18,21-dihydroxy-11,18-epoxypregnane-3,20-dione
Molecular Mass 362.460 g·mol−1
Heat of Formation -1031.1 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 432.03 Å 3
Surface Area 335.24 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
InChIKey WCYSTKTYJRHHAV-YXYVCBCGSA-N
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