| SpectraBase Compound ID | CgpZblMTcZ3 |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-19-13-6-3-11(4-7-13)17-15(18)9-12-5-8-14(20-2)10-16(12)21-17/h3-8,10,15,17-18H,9H2,1-2H3/t15-,17+/m0/s1 |
| InChIKey | UAZVYJFUSBJXNA-DOTOQJQBSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GYHAqUOp2M |
|---|---|
| Name | 2,3-Trans-7,4'-dimethoxyflavan-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-19-13-6-3-11(4-7-13)17-15(18)9-12-5-8-14(20-2)10-16(12)21-17/h3-8,10,15,17-18H,9H2,1-2H3/t15-,17+/m0/s1 |
| InChIKey | UAZVYJFUSBJXNA-DOTOQJQBSA-N |
| SMILES | C=12O[C@@]([C@](CC2=CC=C(C1)OC)(O)[H])(C1=CC=C(C=C1)OC)[H] |