CID 11767681

14679-57-3

Structural Information

Molecular Formula
C41H32O11
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI
InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1
InChIKey
JJNMLNFZFGSWQR-WJZQQGDTSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

700.19446 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.20174 257.4
[M+Na]+ 723.18368 270.5
[M+NH4]+ 718.22828 259.2
[M+K]+ 739.15762 264.8
[M-H]- 699.18718 267.1
[M+Na-2H]- 721.16913 267.3
[M]+ 700.19391 261.8
[M]- 700.19501 261.8
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