(1R,3S,4S,7R,8R,11R,12S,13R)-4,12-Dihydroxy-8-(4-Methoxyphenyl)-2,9,14-Trioxa-6-Azatricyclo[9.2.1.0~3,7~]Tetradec-13-Yl 6-Hydroxy-6-Methylheptanoate

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Formula C25H37NO9
IUPAC Name [(1r,3s,4s,7r,8r,11r,12s,13r)-4,12-dihydroxy-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecan-13-yl] 6-hydroxy-6-methyl-heptanoate
Molecular Mass 495.563 g·mol−1
Heat of Formation -1602.3 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 587.5 Å 3
Surface Area 496.85 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
Synonyms
  • ab-3217-b
CAS Number(s)
  • 139159-00-5
InChIKey BGZXLXUOXGMJOF-CNLOIQPPSA-N
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