| SpectraBase Spectrum ID |
7gOUQkna8D2 |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,4,8-trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 3,4,8-trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
Benzyl 3-hydroxyphysodate |
| CAS Registry Number |
56484-76-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H36O9 |
| InChI |
InChI=1S/C33H36O9/c1-3-5-8-14-22(34)16-21-17-25(36)29(37)31-27(21)33(39)41-26-18-24(35)28(23(30(26)42-31)15-9-6-4-2)32(38)40-19-20-12-10-7-11-13-20/h7,10-13,17-18,35-37H,3-6,8-9,14-16,19H2,1-2H3 |
| InChIKey |
REPUCVRBOPYOPS-UHFFFAOYSA-N |
| Molecular Weight |
576.642 g/mol |
| SMILES |
Oc1c(c(c2Oc3c(c(cc(c3O)O)CC(=O)CCCCC)C(Oc2c1)=O)CCCCC)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9430000000-3c6fc33bac45ccdcd292 |
| Source of Spectrum |
B-28-855-0 |
| Wiley ID |
1408228 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,4,8-trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester](/api/spectrum/7gOUQkna8D2/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,4,8-trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester")
