CID 442455
Piperaduncin b
Structural Information
- Molecular Formula
- C29H30O8
- SMILES
- CC(C)([C@@H]1[C@H](C2=C(C=C(C(=C2O1)C(=O)CCC3=CC=CC=C3)O)OC)C4=C(C=CC(=C4)C(=O)OC)O)O
- InChI
- InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1
- InChIKey
- KGNWKZGVYSTAOX-HOFKKMOUSA-N
- Compound name
- methyl 4-hydroxy-3-[(2S,3S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 507.20134 | 221.1 |
[M+Na]+ | 529.18328 | 225.8 |
[M-H]- | 505.18678 | 228.9 |
[M+NH4]+ | 524.22788 | 226.7 |
[M+K]+ | 545.15722 | 224.3 |
[M+H-H2O]+ | 489.19132 | 213.1 |
[M+HCOO]- | 551.19226 | 233.0 |
[M+CH3COO]- | 565.20791 | 240.2 |
[M+Na-2H]- | 527.16873 | 217.9 |
[M]+ | 506.19351 | 226.9 |
[M]- | 506.19461 | 226.9 |