CID 24796589

Rel-methylenedioxy-tetramethoxy-epoxylignan

Structural Information

Molecular Formula
C23H28O7
SMILES
C[C@H]1[C@@H]([C@@H](O[C@@H]1C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C
InChI
InChI=1S/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20+,21-/m0/s1
InChIKey
RKSBJQZDPAGEQW-IRTBSJMASA-N
Compound name
6-[(2S,3S,4S,5R)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-4-methoxy-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1835 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19078 198.7
[M+Na]+ 439.17272 207.3
[M-H]- 415.17622 212.5
[M+NH4]+ 434.21732 210.4
[M+K]+ 455.14666 208.6
[M+H-H2O]+ 399.18076 193.3
[M+HCOO]- 461.18170 216.6
[M+CH3COO]- 475.19735 228.7
[M+Na-2H]- 437.15817 196.3
[M]+ 416.18295 209.5
[M]- 416.18405 209.5
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.