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

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Properties Simple | Detailed

Formula C22H38N2O2
IUPAC Name [(5r,8s,9s,10r,13s,14s,17r)-17-[(1r)-2-hydroxy-1-methyl-ethyl]-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-id-4-yl]-λ1-azanyl-azanide
Molecular Mass 362.549 g·mol−1
Heat of Formation -345.1 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 463.51 Å 3
Surface Area 361.84 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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