CID 10875560

15397-15-6

Structural Information

Molecular Formula
C34H28O9
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C34H28O9/c1-34(43-32(38)26-20-12-5-13-21-26)28(41-30(36)24-16-8-3-9-17-24)27(22-39-29(35)23-14-6-2-7-15-23)40-33(34)42-31(37)25-18-10-4-11-19-25/h2-21,27-28,33H,22H2,1H3/t27-,28-,33+,34-/m1/s1
InChIKey
QJZSLTLDMBDKOU-VBHQRPIPSA-N
Compound name
[(2R,3R,4R,5S)-3,4,5-tribenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

580.17334 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.18062 234.0
[M+Na]+ 603.16256 246.2
[M+NH4]+ 598.20716 238.7
[M+K]+ 619.13650 240.7
[M-H]- 579.16606 241.8
[M+Na-2H]- 601.14801 243.9
[M]+ 580.17279 237.9
[M]- 580.17389 237.9
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