Methyl (6E,7R)-7-Hydroxy-1,7-Dimethyl-6-[(3S)-3-Methyl-2-Oxononylidene]-6,7-Dihydrocyclopenta[C]Pyran-5-Carboxylate

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Properties Simple | Detailed

Formula C22H30O5
IUPAC Name methyl (6e,7r)-7-hydroxy-1,7-dimethyl-6-[(3s)-3-methyl-2-oxo-nonylidene]cyclopenta[c]pyran-5-carboxylate
Molecular Mass 374.471 g·mol−1
Heat of Formation -856.2 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 481.38 Å 3
Surface Area 397.68 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (6e,7r)-7-hydroxy-1,7-dimethyl-6-[(3s)-3-methyl-2-oxononylidene]-5-cyclopenta[c]pyrancarboxylic acid methyl ester
  • (6e,7r)-7-hydroxy-6-[(3s)-2-keto-3-methyl-nonylidene]-1,7-dimethyl-cyclopenta[c]pyran-5-carboxylic acid methyl ester
  • methyl (6e,7r)-7-hydroxy-1,7-dimethyl-6-[(3s)-3-methyl-2-oxo-nonylidene]cyclopenta[c]pyran-5-carboxylate
  • methyl (6e,7r)-7-hydroxy-1,7-dimethyl-6-[(3s)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate
InChIKey DYUPDLYFDGWNBP-TVXHFNGESA-N
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