![Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoate](/api/spectrum/CY1zrpTmZGZ/structure.png?h=300&w=458 "Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoate")
| SpectraBase Compound ID | CulRYfxheYH |
|---|---|
| InChI | InChI=1S/C33H38O8/c1-5-7-9-15-23-17-27(20-29(39-4)31(23)32(36)40-21-22-13-10-8-11-14-22)41-33(37)30-24(16-25(34)12-6-2)18-26(38-3)19-28(30)35/h8,10-11,13-14,17-20,35H,5-7,9,12,15-16,21H2,1-4H3 |
| InChIKey | USSWDEVENSFORE-UHFFFAOYSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C33H38O8 |
| Exact Mass | 562.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CY1zrpTmZGZ |
|---|---|
| Name | Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 562.256668176 u |
| Formula | C33H38O8 |
| InChI | InChI=1S/C33H38O8/c1-5-7-9-15-23-17-27(20-29(39-4)31(23)32(36)40-21-22-13-10-8-11-14-22)41-33(37)30-24(16-25(34)12-6-2)18-26(38-3)19-28(30)35/h8,10-11,13-14,17-20,35H,5-7,9,12,15-16,21H2,1-4H3 |
| InChIKey | USSWDEVENSFORE-UHFFFAOYSA-N |
| Molecular Weight | 562.659 g/mol |
| SMILES | C1(C(OC=2C=C(OC)C(=C(C2)CCCCC)C(OCC=2C=CC=CC2)=O)=O)=C(C=C(C=C1O)OC)CC(=O)CCC |