CID 69492562

256513-67-4

Structural Information

Molecular Formula
C26H22O10
SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(=O)C4=CC=C(C=C4)OC(=O)C=C
InChI
InChI=1S/C26H22O10/c1-3-21(27)33-17-9-5-15(6-10-17)25(29)35-19-13-31-24-20(14-32-23(19)24)36-26(30)16-7-11-18(12-8-16)34-22(28)4-2/h3-12,19-20,23-24H,1-2,13-14H2/t19-,20+,23-,24-/m1/s1
InChIKey
AMMHWOTZCWPBBR-WNXIRNOKSA-N
Compound name
[(3S,3aR,6R,6aR)-6-(4-prop-2-enoyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-prop-2-enoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

494.1213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.12858 208.6
[M+Na]+ 517.11052 216.0
[M+NH4]+ 512.15512 210.7
[M+K]+ 533.08446 218.1
[M-H]- 493.11402 211.5
[M+Na-2H]- 515.09597 208.7
[M]+ 494.12075 209.8
[M]- 494.12185 209.8
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

patents stripe