3α,21-Dihydroxy-5Beta-Pregnan-20-One

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Formula C21H34O3
IUPAC Name 2-hydroxy-1-[(3r,5r,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 334.493 g·mol−1
Heat of Formation -777.9 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 431.78 Å 3
Surface Area 336.04 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
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InChIKey CYKYBWRSLLXBOW-DATPGIFZSA-N
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