3-Methyl-9-Methylene-8,14-Dioxo-4,7,15-Trioxatetracyclo[11.2.1.0~3,5~.0~6,10~]Hexadec-13(16)-En-11-Yl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H22O7
IUPAC Name (1s,3s,5r,6s,10r,11s)-3-methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.0 3,5 .0 6,10 ]hexadec-13(16)-en-11-yl 3-methyl-2-butenoate
Molecular Mass 374.384 g·mol−1
Heat of Formation -970.7 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 431.14 Å 3
Surface Area 333.98 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5h-3,6-methenofuro(2,3-f)oxireno(d)oxacycloundecin-8-yl ester, (1ar-(1ar*,3r*,8s*,8ar*,11as*,11br*))-
CAS Number(s)
  • 10247-73-1
InChIKey HSTUUCOYVIWGLJ-VZXXYCNRSA-N
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