(3β,5β)-3,17-Dihydroxypregnane-11,20-Dione

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Formula C21H32O4
IUPAC Name (3r,5r,8s,9s,10s,13s,14r,17r)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-11-one
Molecular Mass 348.476 g·mol−1
Heat of Formation -934.7 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 433.72 Å 3
Surface Area 331.72 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
InChIKey AYEXSTRNLGYBSQ-RAXGJRACSA-N
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