(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-Trihydroxy-5-Methoxy-14,16-Dimethyl-3-Oxo-2-Azabicyclo[18.3.1]Tetracosa-1(24),6,8,10,16,20,22-Heptaen-13-Yl 1-[(1-Cyclohexen-1-Ylcarbonyl)Amino]Cyclopropanecarboxylate

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Properties Simple | Detailed

Formula C37H48N2O8
IUPAC Name [(5r,6e,8e,10e,13s,14r,15r,16z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 1-(cyclohexene-1-carbonylamino)cyclopropanecarboxylate
Molecular Mass 648.786 g·mol−1
Heat of Formation -1160.2 ± 16.7 kJ·mol−1
Dipole Moment 7.85 ± 1.08 D
Volume 815.8 Å 3
Surface Area 620.38 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylic acid [(4z,6r,7r,8s,10e,12e,14e,16r)-6,22,24-trihydroxy-18-keto-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
  • 1-[(1-cyclohexenyl-oxomethyl)amino]-1-cyclopropanecarboxylic acid [(4z,6r,7r,8s,10e,12e,14e,16r)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
  • [(4z,6r,7r,8s,10e,12e,14e,16r)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 1-(1-cyclohexenylcarbonylamino)cyclopropane-1-carboxylate
  • [(4z,6r,7r,8s,10e,12e,14e,16r)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate
  • cytotrienin a
InChIKey HNVKTRONBDHSPT-QETCNUOWSA-N
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