Methyl (6E,7R)-7-Hydroxy-6-[(3S)-9-Hydroxy-3-Methyl-2-Oxononylidene]-3,7-Dimethyl-6,7-Dihydrocyclopenta[C]Pyran-5-Carboxylate

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Properties Simple | Detailed

Formula C22H30O6
IUPAC Name methyl (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-3-methyl-2-oxo-nonylidene]-3,7-dimethyl-cyclopenta[c]pyran-5-carboxylate
Molecular Mass 390.470 g·mol−1
Heat of Formation -1011.4 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 491.88 Å 3
Surface Area 422.81 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-2-keto-3-methyl-nonylidene]-3,7-dimethyl-cyclopenta[d]pyran-5-carboxylic acid methyl ester
  • (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethyl-5-cyclopenta[d]pyrancarboxylic acid methyl ester
  • methyl (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-3-methyl-2-oxo-nonylidene]-3,7-dimethyl-cyclopenta[d]pyran-5-carboxylate
  • methyl (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethylcyclopenta[d]pyran-5-carboxylate
InChIKey WGHKHGDABDZHGB-JVEVTSHPSA-N
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