CID 85266294

(1r,2r,4s,6r)-2,6-fenchanediol 2-o-b-d-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1(C2CC(C(C2)(C1OC3C(C(C(C(O3)CO)O)O)O)C)O)C
InChI
InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3
InChIKey
ZXTOJNKDXKFQAG-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(6-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 174.3
[M+Na]+ 355.17272 180.8
[M-H]- 331.17622 174.6
[M+NH4]+ 350.21732 193.3
[M+K]+ 371.14666 178.3
[M+H-H2O]+ 315.18076 173.5
[M+HCOO]- 377.18170 182.7
[M+CH3COO]- 391.19735 201.1
[M+Na-2H]- 353.15817 173.5
[M]+ 332.18295 173.6
[M]- 332.18405 173.6
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.