CID 129320439

3-[(3z,6z,9z,12z)-pentadeca-3,6,9,12-tetraen-1-yl]-4-[(2z,5z,8z,11z)-tetradeca-2,5,8,11-tetraen-1-yl]oxetan-2-one

Structural Information

Molecular Formula
C32H46O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H]1[C@H](OC1=O)C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C32H46O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(34-32(30)33)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27,30-31H,3-4,9-10,15-16,20,23,26,28-29H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,21-19-,24-22-,27-25-/t30-,31+/m0/s1
InChIKey
PZCUTGRKZOCYKQ-LVGWDGPUSA-N
Compound name
(3S,4R)-3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-4-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxetan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

462.3498 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.35708 229.7
[M+Na]+ 485.33902 232.2
[M+NH4]+ 480.38362 214.0
[M+K]+ 501.31296 219.9
[M-H]- 461.34252 226.1
[M+Na-2H]- 483.32447 223.8
[M]+ 462.34925 227.3
[M]- 462.35035 227.3
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.