{(2R,4Z)-4-[(5S)-5-Methyl-5-[(4R)-4-Methyltetradecyl]-2(5H)-Furanylidene]-3,5-Dioxotetrahydro-2-Furanyl}Acetic Acid

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Properties Simple | Detailed

Formula C26H40O6
IUPAC Name 2-[(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]-2-furylidene]-3,5-dioxo-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 448.592 g·mol−1
Heat of Formation -1251.4 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 589.41 Å 3
Surface Area 528.76 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,4z)-3,5-diketo-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]-2-furylidene]tetrahydrofuran-2-yl]acetic acid
  • 2-[(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]-2-furylidene]-3,5-dioxo-2-tetrahydrofuranyl]acetic acid
  • 2-[(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]-2-furylidene]-3,5-dioxo-tetrahydrofuran-2-yl]acetic acid
  • 2-[(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]furan-2-ylidene]-3,5-dioxo-oxolan-2-yl]ethanoic acid
  • 2-[(2r,4z)-4-[(5s)-5-methyl-5-[(4r)-4-methyltetradecyl]furan-2-ylidene]-3,5-dioxooxolan-2-yl]acetic acid
InChIKey GTHQWTZYJQZCCN-FWIBNMFGSA-N
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