CID 157009746

7-oxomatairesinol

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC(=O)C2C(=O)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H20O7/c1-25-16-8-11(3-5-14(16)21)7-13-10-27-20(24)18(13)19(23)12-4-6-15(22)17(9-12)26-2/h3-6,8-9,13,18,21-22H,7,10H2,1-2H3/t13-,18?/m0/s1
InChIKey
IHQUAAXBXPJDEX-FVRDMJKUSA-N
Compound name
(4R)-3-(4-hydroxy-3-methoxybenzoyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.128176 183.5
[M+Na]+ 395.110118 190.5
[M-H]- 371.113624 192.1
[M+NH4]+ 390.154723 194.7
[M+K]+ 411.084058 188.7
[M+H-H2O]+ 355.118160 176.0
[M+HCOO]- 417.119101 201.8
[M+CH3COO]- 431.134751 213.7
[M+Na-2H]- 393.095566 181.6
[M]+ 372.12035142 187.5
[M]- 372.12144858 187.5
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.