CID 129909182
Chembl4072951
Structural Information
- Molecular Formula
- C29H40O4
- SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC(=O)/C=C/C1=CC(=C(C=C1)O)O)/C)/C)/C)C
- InChI
- InChI=1S/C29H40O4/c1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-14-25(5)19-20-33-29(32)18-16-26-15-17-27(30)28(31)21-26/h9,11,13,15-19,21,30-31H,6-8,10,12,14,20H2,1-5H3/b18-16+,23-11+,24-13+,25-19+
- InChIKey
- BAEZZKDBSLJAQO-DKBBLFARSA-N
- Compound name
- [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 453.29994 | 219.0 |
[M+Na]+ | 475.28188 | 219.6 |
[M-H]- | 451.28538 | 217.4 |
[M+NH4]+ | 470.32648 | 226.5 |
[M+K]+ | 491.25582 | 212.6 |
[M+H-H2O]+ | 435.28992 | 211.4 |
[M+HCOO]- | 497.29086 | 231.0 |
[M+CH3COO]- | 511.30651 | 232.0 |
[M+Na-2H]- | 473.26733 | 208.6 |
[M]+ | 452.29211 | 221.1 |
[M]- | 452.29321 | 221.1 |
Literature stripe
Patent stripe
No patent data available for this compound.