(1R,12R)-16-Methoxy-20-Methyl-5,7-Dioxa-20-Azapentacyclo[10.7.1.0~2,10~.0~4,8~.0~13,18~]Icosa-2(10),3,8,13,15,17-Hexaen-15-Ol

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Formula C19H19NO4
IUPAC Name (1r,12r)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0 2,10 .0 4,8 .0 13,18 ]icosa-2(10),3,8,13,15,17-hexaen-15-ol
Molecular Mass 325.358 g·mol−1
Heat of Formation -401.7 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 369.98 Å 3
Surface Area 321.94 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s-cis)-5,6,11,12-tetrahydro-9-methoxy-14-methylbenzo(5,6)cycloocta(1,2-f)-1,3-benzodioxol-5,11-imin-8-ol
  • benzo(5,6)cycloocta(1,2-f)-1,3-benzodioxol-5,11-imin-8-ol, 5,6,11,12-tetrahydro-9-methoxy-14-methyl-, (5s-cis)-
  • caryachine
CAS Number(s)
  • 37687-27-7
InChIKey TZJNFQHUSMXCIT-HUUCEWRRSA-N
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