(5α,20R)-4-Diazo-21-Hydroxy-20-Methylpregnan-3-One

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Formula C22H34N2O2
IUPAC Name (5r,8s,9s,10r,13s,14s,17r)-4-diazonio-17-[(1r)-2-hydroxy-1-methyl-ethyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-olate
Molecular Mass 358.518 g·mol−1
Heat of Formation -353.7 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 465.07 Å 3
Surface Area 362.2 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8s,9s,10r,13s,14s,17r)-4-diazonio-17-[(1r)-2-hydroxy-1-methyl-ethyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-olate
  • (5r,8s,9s,10r,13s,14s,17r)-4-diazonio-17-[(1r)-2-hydroxy-1-methylethyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-olate
  • (5r,8s,9s,10r,13s,14s,17r)-4-diazonio-17-[(2r)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-olate
InChIKey MLPGZRVFTNWGPH-UXJQAVHOSA-N
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