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]+ 361.164576 183.8
[M+Na]+ 383.146518 191.2
[M-H]- 359.150024 191.3
[M+NH4]+ 378.191123 195.5
[M+K]+ 399.120458 188.6
[M+H-H2O]+ 343.154560 176.7
[M+HCOO]- 405.155501 201.0
[M+CH3COO]- 419.171151 210.9
[M+Na-2H]- 381.131966 181.6
[M]+ 360.15675142 187.0
[M]- 360.15784858 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.