![[2S]-(+)-3',4',6'-trimethoxyisoflavanone](/api/spectrum/Ai3uzz8OzNz/structure.png?h=300&w=458 "[2S]-(+)-3',4',6'-trimethoxyisoflavanone")
| SpectraBase Compound ID | 4jWSY7XBLff |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-20-15-9-17(22-3)16(21-2)8-12(15)13-10-23-14-7-5-4-6-11(14)18(13)19/h4-9,13H,10H2,1-3H3/t13-/m1/s1 |
| InChIKey | PGBZSYGUQMRNIO-CYBMUJFWSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ai3uzz8OzNz |
|---|---|
| Name | [2S]-(+)-3',4',6'-trimethoxyisoflavanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-20-15-9-17(22-3)16(21-2)8-12(15)13-10-23-14-7-5-4-6-11(14)18(13)19/h4-9,13H,10H2,1-3H3/t13-/m1/s1 |
| InChIKey | PGBZSYGUQMRNIO-CYBMUJFWSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | [C@@]1(C(C=2C=CC=CC2OC1)=O)(C1=C(C=C(C(=C1)OC)OC)OC)[H] |