(1S,5R,7S,8R,11R,13R)-1,7-Dihydroxy-5,8-Dimethyl-5-[(3E,5E)-3,5-Octadien-1-Yl]-3-Oxo-4,15-Dioxabicyclo[9.3.1]Pentadec-13-Yl 6-Deoxy-2,4-Di-O-Methyl-α-L-Mannopyranoside

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Formula C31H40O10
IUPAC Name (1r,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 572.643 g·mol−1
Heat of Formation -2027.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 724.53 Å 3
Surface Area 578.05 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,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
  • (1r,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
  • (1r,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
  • (1r,5s,7r,8s)-1,7-dihydroxy-5,8-dimethyl-5-[(3e,5e)-octa-3,5-dien-1-yl]-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl rel-6-deoxy-2,4-di-o-methyl-alpha-d-mannopyranoside
  • 1,7-dihydroxy-13-(4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydro-pyran-2-yloxy)-5,8-dimethyl-5-octa-3,5-dienyl-4,15-dioxa-bicyclo[9.3.1]pentadecan-3-one
  • 4,15-dioxabicyclo[9.3.1]pentadecan-3-one, 13-[(6-deoxy-2,4-di-o-methyl-alpha-l-mannopyranosyl)oxy]-1,7-dihydroxy-5,8-dimethyl-5-[(3e,5e)-3,5-octadienyl]-, (1s,5r,7s,8r)-
  • lyngbouilloside
InChIKey YYWHCGARYFKWST-QHOSRZPJSA-N
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