5-[(1S,2R,6R)-2-Hydroxy-5-Oxo-4-{[(2E,4R,6S)-4,6,8-Trimethyl-2,7-Nonadienoyl]Amino}-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Pentanoic Acid

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Properties Simple | Detailed

Formula C23H33NO6
IUPAC Name 5-[(1s,5r,6r)-5-hydroxy-2-oxo-3-[[(2e,4r,6r)-4,6,8-trimethylnona-2,7-dienoyl]amino]-7-oxabicyclo[4.1.0]hept-3-en-5-yl]pentanoic acid
Molecular Mass 419.511 g·mol−1
Heat of Formation -1006.7 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 535.49 Å 3
Surface Area 448.96 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey PZLHSEIQCKXDHC-NJLWZSOQSA-N
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