(1S,2R,3S,5R,6R,7R,8S,9R,12R)-2,8-Dihydroxy-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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Properties Simple | Detailed

Formula C15H18O6
IUPAC Name (1s,2r,3s,5r,6r,7r,8s,9r,12r)-2,8-dihydroxy-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 294.300 g·mol−1
Heat of Formation -690.6 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 324.78 Å 3
Surface Area 255.18 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (1as-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8s*))-hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)spiro(2,5-methano-7h-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2alpha h)-one
  • spiro(2,5-methano-7h-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2ah)-one, 1a-beta,1b,5a,6,6a,7a-beta-hexahydro-1b-alpha,6-beta-dihydroxy-8a-isopropenyl-6a-alpha-methyl-
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CAS Number(s)
  • 2571-22-4
InChIKey CCAZWUJBLXKBAY-ULZPOIKGSA-N
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