CID 44257185
8-trans-[2-(6-benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol
Structural Information
- Molecular Formula
- C33H30O7
- SMILES
- CC1=C(C(=C(C=C1O)OC(=O)C2=CC=CC=C2)/C=C/C3=C4C(=C(C=C3O)OC)CC[C@H](O4)C5=CC=CC=C5)OC
- InChI
- InChI=1S/C33H30O7/c1-20-26(34)18-30(40-33(36)22-12-8-5-9-13-22)25(31(20)38-3)15-14-23-27(35)19-29(37-2)24-16-17-28(39-32(23)24)21-10-6-4-7-11-21/h4-15,18-19,28,34-35H,16-17H2,1-3H3/b15-14+/t28-/m0/s1
- InChIKey
- YKHFNHVQGRPOOZ-ZJYVBTJHSA-N
- Compound name
- [5-hydroxy-2-[(E)-2-[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethenyl]-3-methoxy-4-methylphenyl] benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 539.20644 | 234.4 |
[M+Na]+ | 561.18838 | 239.2 |
[M-H]- | 537.19188 | 245.5 |
[M+NH4]+ | 556.23298 | 236.8 |
[M+K]+ | 577.16232 | 235.8 |
[M+H-H2O]+ | 521.19642 | 221.4 |
[M+HCOO]- | 583.19736 | 247.2 |
[M+CH3COO]- | 597.21301 | 247.9 |
[M+Na-2H]- | 559.17383 | 231.3 |
[M]+ | 538.19861 | 237.6 |
[M]- | 538.19971 | 237.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.