CID 11080867

35958-64-6

Structural Information

Molecular Formula
C27H30O6
SMILES
C1=CC=C(C=C1)COC[C@H]([C@@H]2[C@@H]([C@H](C(O2)O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H30O6/c28-24-26(32-18-22-14-8-3-9-15-22)25(33-27(24)29)23(31-17-21-12-6-2-7-13-21)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24-,25-,26-,27?/m1/s1
InChIKey
ZEJKXJXUVQVSEA-OGJKZRMOSA-N
Compound name
(3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4-phenylmethoxyoxolane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20422 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21150 211.8
[M+Na]+ 473.19344 224.1
[M+NH4]+ 468.23804 217.7
[M+K]+ 489.16738 218.7
[M-H]- 449.19694 219.2
[M+Na-2H]- 471.17889 219.1
[M]+ 450.20367 215.6
[M]- 450.20477 215.6
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