| SpectraBase Spectrum ID |
3ehk8aahPc |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-, phenylmethyl ester |
| CAS Registry Number |
54302-56-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
Oc1c(c(c2c(OC(c3c(cc(cc3O2)O)CC(=O)CCCCC)=O)c1)CC(=O)CCCCC)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0f6w-6940100000-6fe5d0cbf31b86ef561c |
| Source of Spectrum |
B-27-2410-17 |
| Synonyms |
benzyl 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
Benzyl alectoronate |
| Wiley ID |
1410318 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-bis(2-oxoheptyl)-, phenylmethyl ester](/api/spectrum/3ehk8aahPc/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")
