12-Acetoxy-3,14,17-Trihydroxypregnan-20-Yl Benzoate

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Properties Simple | Detailed

Formula C30H18O7
IUPAC Name 12-acetoxy-3,14,17-trihydroxypregnan-20-yl benzoate
Molecular Mass 490.460 g·mol−1
Heat of Formation 2676.7 ± 16.7 kJ·mol−1
Dipole Moment 20.05 ± 1.08 D
Volume 471.95 Å 3
Surface Area 393.82 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -2.99 ± eV
Point Group Symmetry C1
InChIKey MIOQFHJTRPQSEN-IGYHAGNPSA-N
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Elements C O