CID 5283091
18-acetoxy-pgf2alpha-11-acetate methyl ester
Structural Information
- Molecular Formula
- C25H40O8
- SMILES
- CCC(CC[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)OC(=O)C
- InChI
- InChI=1S/C25H40O8/c1-5-20(32-17(2)26)14-12-19(28)13-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,13,15,19-24,28-29H,5,7,9-12,14,16H2,1-4H3/b8-6-,15-13+/t19-,20?,21+,22+,23-,24+/m0/s1
- InChIKey
- DILYBEDJTMAIIY-IJALTSKHSA-N
- Compound name
- methyl (Z)-7-[(1R,2R,3R,5S)-3-acetyloxy-2-[(E,3S)-6-acetyloxy-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 469.27958 | 216.4 |
[M+Na]+ | 491.26152 | 216.3 |
[M-H]- | 467.26502 | 216.0 |
[M+NH4]+ | 486.30612 | 224.3 |
[M+K]+ | 507.23546 | 214.2 |
[M+H-H2O]+ | 451.26956 | 210.0 |
[M+HCOO]- | 513.27050 | 224.1 |
[M+CH3COO]- | 527.28615 | 231.9 |
[M+Na-2H]- | 489.24697 | 204.8 |
[M]+ | 468.27175 | 215.7 |
[M]- | 468.27285 | 215.7 |
Literature stripe
Patent stripe
No patent data available for this compound.