CID 124630882
Ent-16-epi-16-a1-phytop
Structural Information
- Molecular Formula
- C18H28O4
- SMILES
- CC[C@@H](/C=C/[C@@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)O)O
- InChI
- InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m1/s1
- InChIKey
- OXXJZDJLYSMGIQ-BKAHTCAJSA-N
- Compound name
- 8-[(1R,2R)-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopent-3-en-1-yl]octanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.20604 | 178.8 |
[M+Na]+ | 331.18798 | 182.3 |
[M-H]- | 307.19148 | 178.3 |
[M+NH4]+ | 326.23258 | 193.9 |
[M+K]+ | 347.16192 | 178.0 |
[M+H-H2O]+ | 291.19602 | 172.7 |
[M+HCOO]- | 353.19696 | 195.9 |
[M+CH3COO]- | 367.21261 | 202.6 |
[M+Na-2H]- | 329.17343 | 174.3 |
[M]+ | 308.19821 | 180.4 |
[M]- | 308.19931 | 180.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.