(5R,6E,8E,10E,13S,14S,15R,16E)-15-Hydroxy-5-Methoxy-14,16-Dimethyl-3,22,24-Trioxo-2-Azabicyclo[18.3.1]Tetracosa-1(23),6,8,10,16,20-Hexaen-13-Yl N-(Cyclohexylcarbonyl)-D-Alaninate

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Properties Simple | Detailed

Formula C36H48N2O8
IUPAC Name [(4e,6r,7s,8s,10e,12e,14e,16r)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2r)-2-(cyclohexanecarbonylamino)propanoate
Molecular Mass 636.775 g·mol−1
Heat of Formation -1292.2 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 816.32 Å 3
Surface Area 598.04 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(cyclohexanecarbonylamino)propionic acid [(4e,6r,7s,8s,10e,12e,14e,16r)-6-hydroxy-18,22,24-triketo-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] ester
  • (2r)-2-[(cyclohexyl-oxomethyl)amino]propanoic acid [(4e,6r,7s,8s,10e,12e,14e,16r)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] ester
  • [(4e,6r,7s,8s,10e,12e,14e,16r)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2r)-2-(cyclohexanecarbonylamino)propanoate
  • [(4e,6r,7s,8s,10e,12e,14e,16r)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2r)-2-(cyclohexylcarbonylamino)propanoate
  • d-alanine, n-(cyclohexylcarbonyl)-, 11-ester with ansatrienol a
  • mycotrienin i
CAS Number(s)
  • 82189-03-5
InChIKey WWUVMHRJRCRFSL-NXBJUTJHSA-N
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