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. 2016 Oct 27;7:1612. doi: 10.3389/fpls.2016.01612

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 δCH 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)