Arctiin

Molecule SVG Image

Properties Simple | Detailed

Formula C22H6O11
IUPAC Name 2-[2-[(10z)-9-(2-hydroxyethynyl)-6,12-dioxo-5,13-dioxabicyclo[9.3.0]tetradeca-1(14),10-dien-2,7-diyn-10-yl]ethynoxy]-6-(oxomethylene)tetrahydropyran-3,4,5-trione
Molecular Mass 446.276 g·mol−1
Heat of Formation -1756.2 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 617.03 Å 3
Surface Area 523.43 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-4-(3,4-dimethoxybenzyl)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one
  • (3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one
  • (3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
  • (3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one
  • (3r,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone
  • 2(3h)-furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-d-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3r-trans)- (9ci)
  • 2(3h)-furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-d-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3r,4r)-
  • acon1_001261
  • arctiin (8ci)
  • megxp0_000527
InChIKey XOJVHLIYNSOZOO-SWOBOCGESA-N
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