(1S,2S,3R,4R,7S,8R,11S,14Z,17S)-4,8,11,15-Tetramethyl-9-Oxo-10,18-Dioxatetracyclo[9.7.0.0~2,7~.0~3,17~]Octadec-14-En-4-Yl Acetate

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Formula C22H32O5
IUPAC Name (1s,2s,3r,4r,7s,8r,11s,14z,17s)-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.0 2,7 .0 3,17 ]octadec-14-en-4-yl acetate
Molecular Mass 376.486 g·mol−1
Heat of Formation -1031.0 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 462.27 Å 3
Surface Area 351.11 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2ar,3r,6r,9s,9bs,12z)-3,6,9,13-tetramethyl-7-oxodecahydro-2h-2,9-pent[2]enofuro[2,3,4-ef][3]benzoxepin-3-yl rel-acetate
  • 2,9-[2]penteno-2h-furo[2,3,4-ef][3]benzoxepin-7(3h)-one, 3-(acetyloxy)-2a,4,5,5a,6,9,9a,9b-octahydro-3,6,9,13-tetramethyl-, (2ar,3r,6r,9s,9bs,12z)-
  • briarellin j
InChIKey QQZBIRHKOVCIIO-VEDODTPPSA-N
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