CID 2728908

14125-75-8

Structural Information

Molecular Formula
C34H26O9
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C(=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C34H26O9/c35-31(23-13-5-1-6-14-23)40-21-27-29(42-33(37)25-17-9-3-10-18-25)30(43-34(38)26-19-11-4-12-20-26)28(22-39-27)41-32(36)24-15-7-2-8-16-24/h1-20,22,27,29-30H,21H2/t27-,29-,30-/m1/s1
InChIKey
HHNQKUIYTNDYHW-MJLPRTPSSA-N
Compound name
[(2R,3R,4S)-3,4,5-tribenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

578.15765 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.16493 233.6
[M+Na]+ 601.14687 247.7
[M+NH4]+ 596.19147 237.2
[M+K]+ 617.12081 241.4
[M-H]- 577.15037 242.4
[M+Na-2H]- 599.13232 243.7
[M]+ 578.15710 238.0
[M]- 578.15820 238.0
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

patents stripe