(2A,4A,5A,17B)-4,5-Epoxy-17-Hydroxy-4,17-Dimethyl-3-Oxoandrostane-2-Carbonitrile

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Properties Simple | Detailed

Formula C22H31NO3
IUPAC Name (2a,4a,5a,17b)-4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxoandrostane-2-carbonitrile
Molecular Mass 357.486 g·mol−1
Heat of Formation -486.3 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 448.7 Å 3
Surface Area 349.76 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey VOPNDTFUMCWVME-PBDUVLNGSA-N
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