CID 2725026

93379-49-8

Structural Information

Molecular Formula
C31H30O4
SMILES
CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChI
InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1
InChIKey
OWVIRVJQDVCGQX-VSGBNLITSA-N
Compound name
[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1160
Patents

466.21442 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.22170 214.1
[M+Na]+ 489.20364 229.1
[M+NH4]+ 484.24824 222.6
[M+K]+ 505.17758 221.5
[M-H]- 465.20714 225.2
[M+Na-2H]- 487.18909 226.7
[M]+ 466.21387 220.0
[M]- 466.21497 220.0
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