Caiophoraenin

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Formula C11H18O5
IUPAC Name (1s,4r,4as,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1h-cyclopenta[c]pyran-3-one
Molecular Mass 230.258 g·mol−1
Heat of Formation -953.9 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 273.39 Å 3
Surface Area 242.09 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r,4as,5s,7s,7as)-5-hydroxy-1-methoxy-4-methyl-7-methylol-4,4a,5,6,7,7a-hexahydro-1h-cyclopenta[d]pyran-3-one
  • (1s,4r,4as,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1h-cyclopenta[d]pyran-3-one
  • cyclopenta[c]pyran-3(1h)-one, hexahydro-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-, (1s,4r,4as,5s,7s,7as)-
InChIKey ZVEZLXLQLYOFMK-DRZZNBKRSA-N
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