CID 332427

Lariciresinol

Structural Information

Molecular Formula
C20H24O6
SMILES
COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
InChIKey
MHXCIKYXNYCMHY-AUSJPIAWSA-N
Compound name
4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

2027
Patents

360.1573 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.164576 183.7
[M+Na]+ 383.146518 190.2
[M-H]- 359.150024 190.8
[M+NH4]+ 378.191123 195.1
[M+K]+ 399.120458 187.5
[M+H-H2O]+ 343.154560 176.3
[M+HCOO]- 405.155501 200.9
[M+CH3COO]- 419.171151 209.5
[M+Na-2H]- 381.131966 182.2
[M]+ 360.15675142 186.4
[M]- 360.15784858 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe