CID 16083083
Heteranthin
Structural Information
- Molecular Formula
- C26H34O3
- SMILES
- CC1=CC(=O)CC([C@@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C(=O)OC)/C)/C)(C)C
- InChI
- InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1
- InChIKey
- NRLVZXUWVPUCFW-WFCITUQGSA-N
- Compound name
- methyl (2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]trideca-2,4,6,8,10,12-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.25808 | 195.2 |
[M+Na]+ | 417.24002 | 199.1 |
[M-H]- | 393.24352 | 197.1 |
[M+NH4]+ | 412.28462 | 209.0 |
[M+K]+ | 433.21396 | 192.8 |
[M+H-H2O]+ | 377.24806 | 189.9 |
[M+HCOO]- | 439.24900 | 209.7 |
[M+CH3COO]- | 453.26465 | 224.4 |
[M+Na-2H]- | 415.22547 | 188.1 |
[M]+ | 394.25025 | 195.9 |
[M]- | 394.25135 | 195.9 |
Literature stripe
Patent stripe
No patent data available for this compound.