Lyngbouilloside

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Formula C31H52O10
IUPAC Name (1s,4r,5s,7r,11s,13r)-5,11-dihydroxy-13-[(2r,3r,4r,5r,6s)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-4,7-dimethyl-7-[(3e,5e)-octa-3,5-dienyl]-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
Molecular Mass 584.739 g·mol−1
Heat of Formation -1999.3 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 729.25 Å 3
Surface Area 578.47 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r,5s,7r,11s,13r)-5,11-dihydroxy-13-[(2r,3r,4r,5r,6s)-4-hydroxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4,7-dimethyl-7-[(3e,5e)-octa-3,5-dienyl]-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • (1s,4r,5s,7r,11s,13r)-5,11-dihydroxy-13-[(2r,3r,4r,5r,6s)-4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-4,7-dimethyl-7-[(3e,5e)-octa-3,5-dienyl]-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • (1s,4r,5s,7r,11s,13r)-5,11-dihydroxy-13-[[(2r,3r,4r,5r,6s)-4-hydroxy-3,5-dimethoxy-6-methyl-2-tetrahydropyranyl]oxy]-4,7-dimethyl-7-[(3e,5e)-octa-3,5-dienyl]-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
InChIKey YYWHCGARYFKWST-ATGQZWQESA-N
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