CID 50993829
(7r)-7-hydroxytaxiresinol
Structural Information
- Molecular Formula
- C19H22O7
- SMILES
- COC1=C(C=CC(=C1)[C@@H]([C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)O)O)O
- InChI
- InChI=1S/C19H22O7/c1-25-17-7-10(2-5-15(17)22)18(24)13-9-26-19(12(13)8-20)11-3-4-14(21)16(23)6-11/h2-7,12-13,18-24H,8-9H2,1H3/t12-,13-,18-,19+/m0/s1
- InChIKey
- PMALFGMVFUCPMK-BIPCEHGGSA-N
- Compound name
- 4-[(2S,3R,4R)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 363.14385 | 182.2 |
[M+Na]+ | 385.12579 | 187.6 |
[M-H]- | 361.12929 | 186.9 |
[M+NH4]+ | 380.17039 | 191.8 |
[M+K]+ | 401.09973 | 185.0 |
[M+H-H2O]+ | 345.13383 | 175.4 |
[M+HCOO]- | 407.13477 | 195.9 |
[M+CH3COO]- | 421.15042 | 205.9 |
[M+Na-2H]- | 383.11124 | 179.5 |
[M]+ | 362.13602 | 181.9 |
[M]- | 362.13712 | 181.9 |
Literature stripe
Patent stripe
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