2-α,3-Beta,12-Beta-Trihydroxypregna-4,7,16-Trien-20-One

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Formula C21H28O4
IUPAC Name 1-[(2r,3r,9s,10r,12r,13s,14s)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 344.445 g·mol−1
Heat of Formation -677.7 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 418.09 Å 3
Surface Area 328.19 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
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InChIKey IWQKGRNFKYKJHS-KQFCJCSDSA-N
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