CID 139583928
Maculalactone k
Structural Information
- Molecular Formula
- C34H28O6
- SMILES
- C1[C@H]([C@@]23[C@@H](O[C@@]2([C@@](C(=O)O3)(CC4=CC=CC=C4)O)[C@@](C1=O)(C5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC=CC=C7
- InChI
- InChI=1S/C34H28O6/c35-28-21-27(24-15-7-2-8-16-24)33-29(25-17-9-3-10-18-25)39-34(33,32(28,38)26-19-11-4-12-20-26)31(37,30(36)40-33)22-23-13-5-1-6-14-23/h1-20,27,29,37-38H,21-22H2/t27-,29-,31-,32-,33+,34-/m0/s1
- InChIKey
- GFAMJDLEQYJMPF-DLMDRUJCSA-N
- Compound name
- (1R,2R,5S,6R,9R,11S)-9-benzyl-2,9-dihydroxy-2,5,11-triphenyl-7,10-dioxatricyclo[4.3.2.01,6]undecane-3,8-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 533.19588 | 225.0 |
[M+Na]+ | 555.17782 | 230.9 |
[M-H]- | 531.18132 | 241.5 |
[M+NH4]+ | 550.22242 | 229.3 |
[M+K]+ | 571.15176 | 230.7 |
[M+H-H2O]+ | 515.18586 | 208.2 |
[M+HCOO]- | 577.18680 | 236.1 |
[M+CH3COO]- | 591.20245 | 231.9 |
[M+Na-2H]- | 553.16327 | 225.7 |
[M]+ | 532.18805 | 232.2 |
[M]- | 532.18915 | 232.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.