CID 85232976

(1r,2s,4r,5s)-2,5-fenchanediol 2-o-b-d-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1(C2CC(C1OC3C(C(C(C(O3)CO)O)O)O)(CC2O)C)C
InChI
InChI=1S/C16H28O7/c1-15(2)7-4-16(3,5-8(7)18)14(15)23-13-12(21)11(20)10(19)9(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3
InChIKey
LDPSEQUXUZQNEM-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(5-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 172.2
[M+Na]+ 355.17272 176.8
[M+NH4]+ 350.21732 179.8
[M+K]+ 371.14666 175.8
[M-H]- 331.17622 170.9
[M+Na-2H]- 353.15817 170.3
[M]+ 332.18295 172.2
[M]- 332.18405 172.2
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

No patent data available for this compound.