CID 23426752
15-hydroxy-1-(2,4,6-trihydroxyphenyl)-5z,8z,11z,13e,17z-eicosapentaen-1-one
Structural Information
- Molecular Formula
- C26H34O5
- SMILES
- CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)C1=C(C=C(C=C1O)O)O)O
- InChI
- InChI=1S/C26H34O5/c1-2-3-13-16-21(27)17-14-11-9-7-5-4-6-8-10-12-15-18-23(29)26-24(30)19-22(28)20-25(26)31/h3-5,8-11,13-14,17,19-21,27-28,30-31H,2,6-7,12,15-16,18H2,1H3/b5-4-,10-8-,11-9-,13-3-,17-14+/t21-/m0/s1
- InChIKey
- UDCSJICRFCCATA-FHCKYKOSSA-N
- Compound name
- (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxy-1-(2,4,6-trihydroxyphenyl)icosa-5,8,11,13,17-pentaen-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 427.24791 | 208.8 |
[M+Na]+ | 449.22985 | 211.0 |
[M-H]- | 425.23335 | 204.9 |
[M+NH4]+ | 444.27445 | 216.1 |
[M+K]+ | 465.20379 | 202.1 |
[M+H-H2O]+ | 409.23789 | 201.4 |
[M+HCOO]- | 471.23883 | 221.8 |
[M+CH3COO]- | 485.25448 | 220.3 |
[M+Na-2H]- | 447.21530 | 201.9 |
[M]+ | 426.24008 | 209.7 |
[M]- | 426.24118 | 209.7 |
Literature stripe
Patent stripe
No patent data available for this compound.