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]+ 333.190776 178.9
[M+Na]+ 355.172718 181.8
[M-H]- 331.176224 175.3
[M+NH4]+ 350.217323 188.2
[M+K]+ 371.146658 179.6
[M+H-H2O]+ 315.180760 173.6
[M+HCOO]- 377.181701 187.4
[M+CH3COO]- 391.197351 201.0
[M+Na-2H]- 353.158166 176.9
[M]+ 332.18295142 177.6
[M]- 332.18404858 177.6
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.