CID 137323799

Wuhanic acid

Structural Information

Molecular Formula
C24H44O4
SMILES
CC/C=C\CC[C@H](C/C=C\CCCCCCC[C@H](CCCCCC(=O)O)O)O
InChI
InChI=1S/C24H44O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h3-4,9,13,22-23,25-26H,2,5-8,10-12,14-21H2,1H3,(H,27,28)/b4-3-,13-9-/t22-,23-/m1/s1
InChIKey
MYDDZMLKINSENR-TZWOSKRLSA-N
Compound name
(7R,15Z,18R,21Z)-7,18-dihydroxytetracosa-15,21-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.32397 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 210.0
[M+Na]+ 419.31319 208.6
[M-H]- 395.31669 202.9
[M+NH4]+ 414.35779 204.4
[M+K]+ 435.28713 202.8
[M+H-H2O]+ 379.32123 202.8
[M+HCOO]- 441.32217 210.9
[M+CH3COO]- 455.33782 219.7
[M+Na-2H]- 417.29864 202.4
[M]+ 396.32342 213.9
[M]- 396.32452 213.9
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

patents stripe