CID 131750905

Unshuoside a

Structural Information

Molecular Formula
C16H28O7
SMILES
CC(=CCCC(COC1C(C(C(C(O1)CO)O)O)O)(C=C)O)C
InChI
InChI=1S/C16H28O7/c1-4-16(21,7-5-6-10(2)3)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3
InChIKey
GYQYEMLFBFQXSW-UHFFFAOYSA-N
Compound name
2-(2-ethenyl-2-hydroxy-6-methylhept-5-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 178.1
[M+Na]+ 355.17272 182.9
[M+NH4]+ 350.21732 180.0
[M+K]+ 371.14666 182.3
[M-H]- 331.17622 174.5
[M+Na-2H]- 353.15817 174.2
[M]+ 332.18295 177.0
[M]- 332.18405 177.0
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

No patent data available for this compound.