(3β)-3-Hydroxy-N,N-Dimethylchol-5-En-24-Amide

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Properties Simple | Detailed

Formula C26H43NO2
IUPAC Name (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n,n-dimethyl-pentanamide
Molecular Mass 401.625 g·mol−1
Heat of Formation -611.5 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 537.79 Å 3
Surface Area 430.13 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n,n-dimethyl-pentanamide
  • (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n,n-dimethyl-valeramide
  • (4r)-4-[(3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n,n-dimethylpentanamide
InChIKey NDGUBXOBXSPVHJ-LXVLQKCJSA-N
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