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

1
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

literature stripe

Patent stripe

patents stripe