CID 101193827
1,6-dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)-xanthone
Structural Information
- Molecular Formula
- C25H28O7
- SMILES
- CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C(=C(C=C3O2)OC)CC(C(=C)C)O)O)O)OC)C
- InChI
- InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(10-17(27)25(14)31-6)32-20-11-18(30-5)15(9-16(26)13(3)4)23(28)22(20)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
- InChIKey
- IJQRCAZPGFDXPF-UHFFFAOYSA-N
- Compound name
- 1,6-dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 441.19078 | 205.2 |
[M+Na]+ | 463.17272 | 213.7 |
[M-H]- | 439.17622 | 208.1 |
[M+NH4]+ | 458.21732 | 214.0 |
[M+K]+ | 479.14666 | 211.0 |
[M+H-H2O]+ | 423.18076 | 197.5 |
[M+HCOO]- | 485.18170 | 218.0 |
[M+CH3COO]- | 499.19735 | 232.8 |
[M+Na-2H]- | 461.15817 | 202.9 |
[M]+ | 440.18295 | 213.8 |
[M]- | 440.18405 | 213.8 |
Literature stripe
Patent stripe
No patent data available for this compound.