CID 5283089

Pgf2alpha-11-acetate methyl ester

Structural Information

Molecular Formula
C23H38O6
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)OC(=O)C)O
InChI
InChI=1S/C23H38O6/c1-4-5-8-11-18(25)14-15-20-19(21(26)16-22(20)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
InChIKey
ZGDWNZMBIMUYME-YNRDDPJXSA-N
Compound name
methyl (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.26685 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.27413 205.5
[M+Na]+ 433.25607 206.8
[M-H]- 409.25957 204.2
[M+NH4]+ 428.30067 216.7
[M+K]+ 449.23001 202.9
[M+H-H2O]+ 393.26411 199.1
[M+HCOO]- 455.26505 219.2
[M+CH3COO]- 469.28070 221.5
[M+Na-2H]- 431.24152 196.4
[M]+ 410.26630 209.4
[M]- 410.26740 209.4
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

patents stripe