| SpectraBase Spectrum ID |
2WNaoX6o8Oz |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-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 |
560.241018111 u |
| Formula |
C33H36O8 |
| InChI |
InChI=1S/C33H36O8/c1-3-5-8-14-23(34)16-22-17-24(35)18-27-29(22)33(38)41-28-19-26(36)30(25(31(28)40-27)15-9-6-4-2)32(37)39-20-21-12-10-7-11-13-21/h7,10-13,17-19,35-36H,3-6,8-9,14-16,20H2,1-2H3 |
| InChIKey |
YLKIZGNOQOARNV-UHFFFAOYSA-N |
| Molecular Weight |
560.643 g/mol |
| SMILES |
C1(C=2C(OC=3C(O1)=CC(=C(C(OCC=1C=CC=CC1)=O)C3CCCCC)O)=CC(=CC2CC(=O)CCCCC)O)=O |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester](/api/spectrum/2WNaoX6o8Oz/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester")
