3,16-Dihydroxypregn-5-En-20-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 1-[(3s,8s,9s,10r,13s,14r,16r,17r)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 332.477 g·mol−1
Heat of Formation -717.3 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 426.77 Å 3
Surface Area 337.97 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
InChIKey ZAKJZPQDUPCXSD-YZUCACDQSA-N
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Elements H C O