| SpectraBase Spectrum ID |
AplwjuOCQ1y |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
602.251582795 u |
| Formula |
C35H38O9 |
| InChI |
InChI=1S/C35H38O9/c1-3-5-8-14-24(36)16-23-17-26(38)19-29-31(23)35(41)44-30-20-28(39)32(34(40)42-21-22-12-10-7-11-13-22)27(33(30)43-29)18-25(37)15-9-6-4-2/h7,10-13,17,19-20,38-39H,3-6,8-9,14-16,18,21H2,1-2H3 |
| InChIKey |
GIQFRMOJRVXGMP-UHFFFAOYSA-N |
| Molecular Weight |
602.680 g/mol |
| SMILES |
C1(C=2C(OC=3C(O1)=CC(=C(C(OCC=1C=CC=CC1)=O)C3CC(=O)CCCCC)O)=CC(=CC2CC(=O)CCCCC)O)=O |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-, phenylmethyl ester](/api/spectrum/AplwjuOCQ1y/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-, phenylmethyl ester")
