CID 156021732
Ilyoresorcy a
Structural Information
- Molecular Formula
- C20H25ClO6
- SMILES
- C[C@@H]1C/C=C/CCCC[C@@H](CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)O
- InChI
- InChI=1S/C20H25ClO6/c1-12-7-5-3-2-4-6-8-13(22)9-14(23)10-15-18(20(26)27-12)16(24)11-17(25)19(15)21/h3,5,11-13,22,24-25H,2,4,6-10H2,1H3/b5-3+/t12-,13+/m1/s1
- InChIKey
- HFWXCJKSHYWBSP-CBSYICTRSA-N
- Compound name
- (4R,6E,12S)-17-chloro-12,18,20-trihydroxy-4-methyl-3-oxabicyclo[14.4.0]icosa-1(16),6,17,19-tetraene-2,14-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 397.14125 | 190.1 |
[M+Na]+ | 419.12319 | 197.2 |
[M-H]- | 395.12669 | 190.9 |
[M+NH4]+ | 414.16779 | 197.7 |
[M+K]+ | 435.09713 | 193.5 |
[M+H-H2O]+ | 379.13123 | 188.9 |
[M+HCOO]- | 441.13217 | 196.4 |
[M+CH3COO]- | 455.14782 | 207.2 |
[M+Na-2H]- | 417.10864 | 187.5 |
[M]+ | 396.13342 | 185.8 |
[M]- | 396.13452 | 185.8 |
Literature stripe
Patent stripe
No patent data available for this compound.