(4A,5A,17B)-4,5-Epoxy-3,17-Dihydroxy-4,17-Dimethylandrost-2-Ene-2-Carbonitrile

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Properties Simple | Detailed

Formula C22H31NO3
IUPAC Name (4a,5a,17b)-4,5-epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile
Molecular Mass 357.486 g·mol−1
Heat of Formation -489.6 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 449.88 Å 3
Surface Area 346.17 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey CETKWEWBSMKADK-RAWKAGDMSA-N
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