| SpectraBase Spectrum ID |
KyJ5ShW0Q6M |
| Name |
Benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
578.251582795 u |
| Formula |
C33H38O9 |
| InChI |
InChI=1S/C33H38O9/c1-5-7-9-15-22-18-26(35)31(30(36)29(22)32(37)41-20-21-13-10-8-11-14-21)42-33(38)28-23(16-24(34)12-6-2)17-25(39-3)19-27(28)40-4/h8,10-11,13-14,17-19,35-36H,5-7,9,12,15-16,20H2,1-4H3 |
| InChIKey |
DKSGDOCWLSSVDR-UHFFFAOYSA-N |
| Molecular Weight |
578.658 g/mol |
| SMILES |
C=1(C(=C(OC(C2=C(C=C(C=C2OC)OC)CC(=O)CCC)=O)C(=CC1CCCCC)O)O)C(OCC=1C=CC=CC1)=O |
![Benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate](/api/spectrum/KyJ5ShW0Q6M/structure.png?h=300&w=458 "Benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate")
