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
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 |
Literature stripe
No literature data available for this compound.