CID 131751273

Muridienin 1

Structural Information

Molecular Formula
C35H62O2
SMILES
CCCCCCCCCCCCCC/C=C\CC/C=C\CCCCCCCCCCC1=CC(OC1=O)C
InChI
InChI=1S/C35H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32-33(2)37-35(34)36/h16-17,20-21,32-33H,3-15,18-19,22-31H2,1-2H3/b17-16-,21-20-
InChIKey
SLIFFGRUNIQGDJ-BQGUDHRMSA-N
Compound name
2-methyl-4-[(11Z,15Z)-triaconta-11,15-dienyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

514.475 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.48228 247.1
[M+Na]+ 537.46422 245.1
[M-H]- 513.46772 246.4
[M+NH4]+ 532.50882 254.2
[M+K]+ 553.43816 237.1
[M+H-H2O]+ 497.47226 237.6
[M+HCOO]- 559.47320 262.1
[M+CH3COO]- 573.48885 251.4
[M+Na-2H]- 535.44967 237.8
[M]+ 514.47445 257.6
[M]- 514.47555 257.6
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.