Table 3.
Assignments of the lignin 13C–1H correlation peaks in the 2D-HSQC spectra of whole cell walls and of the corresponding isolated milled lignins from cork, phloem and xylem of Quercus suber L.
| Label | δC/δH | Assignment |
|---|---|---|
| Bβ | 53.1/3.43 | Cβ–Hβ in phenylcoumaran substructures (B) |
| Cβ | 53.5/3.05 | Cβ–Hβ in β–β′ resinol substructures (C) |
| −OCH3 | 55.6/3.73 | C−H in methoxyls |
| Aγ | 59.4/3.40 and 3.72 | Cγ–Hγ in β–O–4′ substructures (A) |
| Dβ | 59.5/2.75 | Cβ–Hβ in in 5-5′ (dibenzodioxocin) substructures (D) |
| Iγ | 61.3/4.08 | Cγ–Hγ in cinnamyl alcohol end-groups (I) |
| Bγ | 62.6/3.67 | Cγ–Hγ in phenylcoumaran substructures (B) |
| A′γ | 63.5/3.83 and 4.30 | Cγ–Hγ in γ-acylated β–O–4′ substructures (A′) |
| I′γ | 64.3/4.63 | Cγ–Hγ in γ-acetylated cinnamyl alcohol end-groups (I′) |
| Cγ | 71.0/3.83 and 4.19 | Cγ–Hγ in β–β′ resinol substructures (C) |
| Aα(G) | 71.0/4.73 | Cα–Hα in β–O–4′ substructures (A) linked to a G-unit |
| Aα(S) | 71.7/4.83 | Cα–Hα in β–O–4′ substructures (A) linked to a G-unit |
| Fβ′ | 79.4/4.10 | Cβ′–Hβ′ in spirodienone substructures (F) |
| A′β(G) | 80.7/4.51 | Cβ–Hβ in γ-acetylated β–O–4′ substructures linked to a G-unit (A′) |
| Fα | 81.2/5.01 | Cα–Hα in spirodienone substructures (F) |
| Dα | 83.0/4.82 | Cα-Hα in 5-5′ (dibenzodioxocin) substructures (D) |
| Fα′ | 83.6/4.68 | Cα′–Hα′ in spirodienone substructures (F) |
| Aβ(G) | 83.7/4.26 | Cβ–Hβ in β–O–4′ substructures (A) linked to a G unit |
| Cα | 84.7/4.64 | Cα–Hα in β–β′ resinol substructures (C) |
| Dβ | 85.2/3.85 | Cβ-Hβ in 5-5′ (dibenzodioxocin) substructures (D) |
| Aβ(S) | 85.8/4.09 | Cβ–Hβ in β–O–4′ substructures linked (A) to a S unit |
| Bα | 86.8/5.43 | Cα–Hα in phenylcoumaran substructures (B) |
| S2,6 | 103.7/6.68 | C2–H2 and C6–H6 in etherified syringyl units (S) |
| J2,6(S) | 106.2/7.02 | C2-H2 and C6-H6 in sinapaldehyde end-groups (J) |
| S′2,6 | 106.3/7.32 and 7.20 | C2-H2 and C6-H6 in Cα-oxidized syringyl units (S′) |
| G2 | 110.8/6.96 | C2–H2 in guaiacyl units (G) |
| FA2 | 111.1/7.25 | C2-H2 in ferulates (FA) |
| J2(G) | 112.5/7.30 | C2–H2 in conyferaldehyde end-groups (J) |
| F2′(S) | 113.5/6.25 | C2′–H2′ in spirodienone substructures (F) |
| FAβ | 113.5/6.27 | Cβ–Hβ in ferulates (FA) |
| G5/G6 | 115.0/6.74 | C5–H5 and C6–H6 in guaiacyl units (G) |
| G6 | 118.7/6.77 | C5–H5 inguaiacyl units (G) |
| J6(G) | 118.8/7.30 | C6–H6 in conyferaldehyde end-groups (J) |
| F6′(S) | 118.9/6.06 | C6′–H6′ in spirodienone substructures (F) |
| FA6 | 123.3/7.10 | C6–H6 in ferulate (FA) |
| Jβ | 126.3/6.76 | Cβ–Hβ in cinnamyl aldehyde end-groups (J) |
| H2,6 | 128.0/7.23 | C2,6–H2,6 in p-hydroxyphenyl units (H) |
| FAα | 144.4/7.41 | Cα–Hα in ferulates (FA) |
| Jα | 153.4/7.61 | Cα–Hα in cinnamyl aldehyde end-groups (J) |