CID 21629801
Epigallocatechin 3-o-cinnamate
Structural Information
- Molecular Formula
- C24H20O8
- SMILES
- C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)/C=C/C4=CC=CC=C4
- InChI
- InChI=1S/C24H20O8/c25-15-10-17(26)16-12-21(31-22(29)7-6-13-4-2-1-3-5-13)24(32-20(16)11-15)14-8-18(27)23(30)19(28)9-14/h1-11,21,24-28,30H,12H2/b7-6+/t21-,24-/m1/s1
- InChIKey
- GQGIIUWXMCBYIJ-UMMIVNDFSA-N
- Compound name
- [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] (E)-3-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.12308 | 201.0 |
[M+Na]+ | 459.10502 | 206.7 |
[M-H]- | 435.10852 | 206.2 |
[M+NH4]+ | 454.14962 | 206.3 |
[M+K]+ | 475.07896 | 203.3 |
[M+H-H2O]+ | 419.11306 | 191.7 |
[M+HCOO]- | 481.11400 | 212.0 |
[M+CH3COO]- | 495.12965 | 221.2 |
[M+Na-2H]- | 457.09047 | 200.5 |
[M]+ | 436.11525 | 200.6 |
[M]- | 436.11635 | 200.6 |
Literature stripe
Patent stripe
No patent data available for this compound.