(5As,6R,8As,9R,10R,12R,12Ar)-10-Ethoxy-3,6,9-Trimethyldecahydro-3,12-Epoxy[1,2]Dioxepino[4,3-I]Isochromene

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Properties Simple | Detailed

Formula C17H28O5
IUPAC Name (1r,4s,5r,8s,9r,10r,12r,13r)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Molecular Mass 312.401 g·mol−1
Heat of Formation -775.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 378.42 Å 3
Surface Area 311.46 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3,12-epoxy-12h-pyrano(4,3-j)-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-, (3r,5as,6r,8as,9r,10r,12r,12ar)-
CAS Number(s)
  • 82534-75-6
InChIKey NLYNIRQVMRLPIQ-LTLPSTFDSA-N
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DOI
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