CID 461962

(3r,4r)-3,4-bis(4'-hydroxy-3'-methoxybenzyl)tetrahydrofuran

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 189.0
[M-H]- 359.150024 190.5
[M+NH4]+ 378.191123 194.7
[M+K]+ 399.120458 186.8
[M+H-H2O]+ 343.154560 176.3
[M+HCOO]- 405.155501 200.0
[M+CH3COO]- 419.171151 209.1
[M+Na-2H]- 381.131966 181.8
[M]+ 360.15675142 185.4
[M]- 360.15784858 185.4
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

No patent data available for this compound.