(1R,10S)-4-Hydroxy-3,5,14-Trimethoxy-18-Methyl-18-Azatetracyclo[8.5.3.0~1,11~.0~2,7~]Octadeca-2,4,6,11,14-Pentaen-13-One

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Properties Simple | Detailed

Formula C21H25NO5
IUPAC Name (1r,10s)-4-hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.0 1,11 .0 2,7 ]octadeca-2,4,6,11,14-pentaen-13-one
Molecular Mass 371.427 g·mol−1
Heat of Formation -560.4 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 428.42 Å 3
Surface Area 353.0 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 2115-98-2
InChIKey ABMMKLCVJJTPJD-LHSJRXKWSA-N
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