CID 131752980

Methyl helianthenoate a glucoside

Structural Information

Molecular Formula
C19H24O8
SMILES
COC(=O)C/C=C\CC#CC#CC(C=C)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C19H24O8/c1-3-13(10-8-6-4-5-7-9-11-15(21)25-2)26-19-18(24)17(23)16(22)14(12-20)27-19/h3,7,9,13-14,16-20,22-24H,1,5,11-12H2,2H3/b9-7-
InChIKey
MBJLYSAPIVPYNP-CLFYSBASSA-N
Compound name
methyl (3Z)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-3,11-dien-6,8-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14713 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.154406 182.8
[M+Na]+ 403.136348 189.7
[M-H]- 379.139854 181.5
[M+NH4]+ 398.180953 188.2
[M+K]+ 419.110288 186.2
[M+H-H2O]+ 363.144390 169.0
[M+HCOO]- 425.145331 184.5
[M+CH3COO]- 439.160981 225.5
[M+Na-2H]- 401.121796 178.0
[M]+ 380.14658142 174.9
[M]- 380.14767858 174.9
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.