(3α,6α,8Xi,9Xi,10Xi,14Xi)-3,6,17-Trihydroxypregnan-20-One

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Formula C21H34O4
IUPAC Name 1-[(3r,5r,6s,8r,9s,10r,13s,14s,17r)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 350.492 g·mol−1
Heat of Formation -982.0 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 439.89 Å 3
Surface Area 337.91 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
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InChIKey XBKMYUZPSUAVAK-KHPLUVTOSA-N
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Elements H C O