CID 21139992

7473-43-0

Structural Information

Molecular Formula
C33H26O9
SMILES
C1[C@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C33H26O9/c34-29(22-13-5-1-6-14-22)39-26-21-38-33(42-32(37)25-19-11-4-12-20-25)28(41-31(36)24-17-9-3-10-18-24)27(26)40-30(35)23-15-7-2-8-16-23/h1-20,26-28,33H,21H2/t26-,27-,28-,33+/m1/s1
InChIKey
YHLULIUXPPJCPL-NPJKBUODSA-N
Compound name
[(3R,4R,5R,6S)-4,5,6-tribenzoyloxyoxan-3-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.15765 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.16493 231.8
[M+Na]+ 589.14687 231.1
[M-H]- 565.15037 245.5
[M+NH4]+ 584.19147 230.8
[M+K]+ 605.12081 231.4
[M+H-H2O]+ 549.15491 217.6
[M+HCOO]- 611.15585 245.5
[M+CH3COO]- 625.17150 248.6
[M+Na-2H]- 587.13232 228.8
[M]+ 566.15710 232.7
[M]- 566.15820 232.7
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.