[(3R,5S,7R,8R)-7-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-Acetoxy-2-Pentenoyl]Amino}-3,6-Dimethyltetrahydro-2H-Pyran-2-Yl]-3-Methyl-1,3-Pentadien-1-Yl}-8-Hydroxy-1,6-Dioxaspiro[2.5]Oct-5-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C28H41NO9
IUPAC Name 2-[(3r,4r,5r,7s)-5-[(1e,3e)-5-[(2s,3s,5r,6r)-5-[[(z,4s)-4-acetoxypent-2-enoyl]amino]-3,6-dimethyl-tetrahydropyran-2-yl]-3-methyl-penta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid
Molecular Mass 535.626 g·mol−1
Heat of Formation -1581.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 664.14 Å 3
Surface Area 529.43 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
InChIKey GJKQDOMCDFJANR-FUDLAKRJSA-N
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