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

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Formula C23H33NO8
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] 4-methylpentanoate
Molecular Mass 451.510 g·mol−1
Heat of Formation -1378.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 531.48 Å 3
Surface Area 442.66 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • ab 3217-c
  • ab-3217-c
  • pentanoic acid, 4-methyl-, decahydro-3,7-dihydroxy-11-(4-methoxyphenyl)-5,8-epoxy-5h-(1,5)dioxecino(3,2-b)pyrrol-6-yl ester
CAS Number(s)
  • 139159-01-6
InChIKey HQIHTMLPUVKHPR-CJSUNVDRSA-N
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