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]+ 373.12818 183.5
[M+Na]+ 395.11012 190.5
[M-H]- 371.11362 192.1
[M+NH4]+ 390.15472 194.7
[M+K]+ 411.08406 188.7
[M+H-H2O]+ 355.11816 176.0
[M+HCOO]- 417.11910 201.8
[M+CH3COO]- 431.13475 213.7
[M+Na-2H]- 393.09557 181.6
[M]+ 372.12035 187.5
[M]- 372.12145 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.