CID 24796714

Rel-dimethylenedioxy-dimethoxy-epoxylignan

Structural Information

Molecular Formula
C22H24O7
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1C2=CC3=C(C(=C2)OC)OCO3)C4=CC5=C(C(=C4)OC)OCO5)C
InChI
InChI=1S/C22H24O7/c1-11-12(2)20(14-6-16(24-4)22-18(8-14)26-10-28-22)29-19(11)13-5-15(23-3)21-17(7-13)25-9-27-21/h5-8,11-12,19-20H,9-10H2,1-4H3/t11-,12-,19-,20+/m0/s1
InChIKey
ISBKEYQPAWAMRF-HKKFXGGESA-N
Compound name
4-methoxy-6-[(2R,3S,4S,5S)-5-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1522 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15948 191.9
[M+Na]+ 423.14142 200.6
[M-H]- 399.14492 207.5
[M+NH4]+ 418.18602 204.0
[M+K]+ 439.11536 203.3
[M+H-H2O]+ 383.14946 190.5
[M+HCOO]- 445.15040 207.1
[M+CH3COO]- 459.16605 204.0
[M+Na-2H]- 421.12687 190.0
[M]+ 400.15165 201.3
[M]- 400.15275 201.3
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.