CID 52921877

Dinor-pgf2alpha

Structural Information

Molecular Formula
C18H30O5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CC(=O)O)O)O)O
InChI
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-,17+/m0/s1
InChIKey
IDKLJIUIJUVJNR-XJEQWDHQSA-N
Compound name
(Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.20932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21660 182.9
[M+Na]+ 349.19854 187.0
[M+NH4]+ 344.24314 185.7
[M+K]+ 365.17248 185.4
[M-H]- 325.20204 178.8
[M+Na-2H]- 347.18399 179.1
[M]+ 326.20877 181.4
[M]- 326.20987 181.4
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.