Abietin

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Formula C16H22O8
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 342.341 g·mol−1
Heat of Formation -1287.5 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 395.14 Å 3
Surface Area 339.14 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-[(e)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-d-glucopyranoside
  • acon1_002032
  • beta-d-glucopyranoside, 4-(3-hydroxy-1-propenyl)-2-methoxyphenyl (van)
  • coniferin
  • coniferyl alcohol beta-d-glucoside
  • megxp0_000873
CAS Number(s)
  • 531-29-3
InChIKey SFLMUHDGSQZDOW-FAOXUISGSA-N
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