CID 129901626

4-[(2s,3s,4r,5r)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-2-methoxy-phenol

Structural Information

Molecular Formula
C20H24O6
SMILES
C[C@H]1[C@@H]([C@@H](O[C@@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)CO
InChI
InChI=1S/C20H24O6/c1-11-14(10-21)20(13-5-7-16(23)18(9-13)25-3)26-19(11)12-4-6-15(22)17(8-12)24-2/h4-9,11,14,19-23H,10H2,1-3H3/t11-,14-,19-,20-/m0/s1
InChIKey
CQBQVCRKBBUMGP-QPFQLWNFSA-N
Compound name
4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1573 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 183.8
[M+Na]+ 383.14652 191.2
[M-H]- 359.15002 191.3
[M+NH4]+ 378.19112 195.5
[M+K]+ 399.12046 188.6
[M+H-H2O]+ 343.15456 176.7
[M+HCOO]- 405.15550 201.0
[M+CH3COO]- 419.17115 210.9
[M+Na-2H]- 381.13197 181.6
[M]+ 360.15675 187.0
[M]- 360.15785 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.