| SpectraBase Spectrum ID |
8iVrKM7df1Q |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl- |
| Alternate Name(s) |
4-O-methylphysodic acid
8-Hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid |
| CAS Registry Number |
10142-72-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32O8 |
| InChI |
InChI=1S/C27H32O8/c1-4-6-8-10-17(28)12-16-13-18(33-3)14-21-23(16)27(32)35-22-15-20(29)24(26(30)31)19(25(22)34-21)11-9-7-5-2/h13-15,29H,4-12H2,1-3H3,(H,30,31) |
| InChIKey |
VFRGAVOQEJKXDU-UHFFFAOYSA-N |
| Molecular Weight |
484.545 g/mol |
| SMILES |
OC(c1c(cc2c(c1CCCCC)Oc1c(C(O2)=O)c(cc(c1)OC)CC(=O)CCCCC)O)=O |
| SPLASH |
splash10-0006-7720900000-330856fed5e97da03493 |
| Source of Spectrum |
B-28-856-0 |
| Wiley ID |
1396012 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-](/api/spectrum/8iVrKM7df1Q/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-")
