(1R,3S,4S,7R,8R,11R,12R,13R)-8-(4-Methoxyphenyl)-2,9,14-Trioxa-6-Azatricyclo[9.2.1.0~3,7~]Tetradecane-4,12,13-Triol

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Formula C17H23NO7
IUPAC Name (1r,3s,4s,7r,8r,11r,12r,13r)-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.0 3,7 ]tetradecane-4,12,13-triol
Molecular Mass 353.367 g·mol−1
Heat of Formation -1102.4 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 393.2 Å 3
Surface Area 328.25 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4,12,13-trihydroxy-8-(4-methoxyphenyl)-6-aza-2,9,14-trioxatricyclo(9.2.1.0(3,7))tetradecane
  • 5,8-epoxy-5h-(1,5)dioxecino(3,2-b)pyrrole-3,6,7-triol, decahydro-11-(4-methoxyphenyl)-, (3s-(3r*,3ar*,5s*,6s*,7s*,8s*,11s*,11as*))-
  • ab-3217-a
CAS Number(s)
  • 139158-99-9
InChIKey CXOWUUUBWJFSRU-FKBVCAKVSA-N
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