CID 131751208

Muridienin 4

Structural Information

Molecular Formula
C37H66O2
SMILES
CCCCCCCCCCCC/C=C/CC/C=C/CCCCCCCCCCCCCCC1=CC(OC1=O)C
InChI
InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,34-35H,3-13,16-17,20-33H2,1-2H3/b15-14+,19-18+
InChIKey
JMBHJZMDMSBICG-HOTZHUKSSA-N
Compound name
4-[(15E,19E)-dotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

542.5063 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.51358 255.5
[M+Na]+ 565.49552 252.7
[M-H]- 541.49902 254.4
[M+NH4]+ 560.54012 247.4
[M+K]+ 581.46946 244.2
[M+H-H2O]+ 525.50356 245.7
[M+HCOO]- 587.50450 267.1
[M+CH3COO]- 601.52015 257.2
[M+Na-2H]- 563.48097 245.2
[M]+ 542.50575 266.7
[M]- 542.50685 266.7
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.