(1R,2S,3R,5S,6S,7S,9R,12S)-2-Hydroxy-12-Isopropenyl-7-Methyl-11H-Spiro[4,10-Dioxatetracyclo[7.2.1.0~2,7~.0~3,5~]Dodecane-6,2'-Oxiran]-11-One

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Formula C15H18O5
IUPAC Name (1r,2s,3r,5s,6s,7s,9r,12s)-2-hydroxy-12-isopropenyl-7-methyl-11h-spiro[4,10-dioxatetracyclo[7.2.1.0 2,7 .0 3,5 ]dodecane-6,2'-oxiran]-11-one
Molecular Mass 278.300 g·mol−1
Heat of Formation -546.2 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 314.89 Å 3
Surface Area 250.66 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • coriamyrtine
  • coriamyrtione
  • spiro(2,5-methano-7h-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2alphah)-one, 1abeta,1b,5alpha,6,6a,7abeta-hexahydro-1balpha-hydroxy-8alpha-isopropenyl-6aalpha-methyl- (8ci)
  • spiro(2,5-methano-7h-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2h)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1as-(1aalpha,1bbeta,2beta,5beta,6abeta,7beta,7aalpha,8s*))- (9ci)
InChIKey BWWDLKVKPVKBGJ-LHSZFNMKSA-N
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