| SpectraBase Spectrum ID |
LMKHCr8XfjF |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 3,8-dimethoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.272318240 u |
| Formula |
C35H40O8 |
| InChI |
InChI=1S/C35H40O8/c1-5-7-10-16-25(36)18-24-19-26(39-3)20-29-31(24)35(38)43-30-21-28(40-4)32(27(33(30)42-29)17-11-8-6-2)34(37)41-22-23-14-12-9-13-15-23/h9,12-15,19-21H,5-8,10-11,16-18,22H2,1-4H3 |
| InChIKey |
OLOREDTWUWAEOJ-UHFFFAOYSA-N |
| Molecular Weight |
588.697 g/mol |
| SMILES |
C1(C=2C(OC=3C(O1)=CC(=C(C(OCC=1C=CC=CC1)=O)C3CCCCC)OC)=CC(=CC2CC(=O)CCCCC)OC)=O |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dimethoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester](/api/spectrum/LMKHCr8XfjF/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dimethoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester")
