CID 18688995

Neryl arabinofuranosyl-glucoside

Structural Information

Molecular Formula
C21H36O10
SMILES
CC(=CCC/C(=C\COC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)/C)C
InChI
InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-20-19(27)17(25)16(24)14(31-20)10-29-21-18(26)15(23)13(9-22)30-21/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-
InChIKey
AWDKYYYAAQQLEF-GHXNOFRVSA-N
Compound name
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

448.23083 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.23811 207.1
[M+Na]+ 471.22005 207.7
[M-H]- 447.22355 205.8
[M+NH4]+ 466.26465 211.3
[M+K]+ 487.19399 207.0
[M+H-H2O]+ 431.22809 201.4
[M+HCOO]- 493.22903 211.6
[M+CH3COO]- 507.24468 222.9
[M+Na-2H]- 469.20550 198.4
[M]+ 448.23028 207.3
[M]- 448.23138 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.