(2E,4E,6E,8E)-10-({(3S,4R,5R,6S)-5-Methoxy-4-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-1-Oxaspiro[2.5]Oct-6-Yl}Oxy)-10-Oxo-2,4,6,8-Decatetraenoic Acid

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Properties Simple | Detailed

Formula C26H34O7
IUPAC Name (2e,4e,6e,8e)-10-[[(3s,4r,5r,6s)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxo-deca-2,4,6,8-tetraenoic acid
Molecular Mass 458.544 g·mol−1
Heat of Formation -877.4 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 587.19 Å 3
Surface Area 493.24 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-10-[[(3s,4r,5r,6s)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[[(3s,4r,5r,6s)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxo-deca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-[[(3s,4r,5r,6s)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-10-keto-10-[[(3s,4r,5r,6s)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]deca-2,4,6,8-tetraenoic acid
  • 2,4,6,8-decatetraenedioic acid, mono(5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl) ester, (3r-(3alpha,4alpha(2r*,3r*),5beta,6beta(all-e-)))-
InChIKey NGGMYCMLYOUNGM-TWKZINDSSA-N
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