| SpectraBase Spectrum ID |
B0rftxCEnT6 |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3-hydroxy-8-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
Benzyl 2'-O-methylphysodate
benzyl 3-hydroxy-8-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate |
| CAS Registry Number |
56484-75-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H38O8 |
| InChI |
InChI=1S/C34H38O8/c1-4-6-9-15-24(35)17-23-18-25(36)19-28-30(23)34(38)42-29-20-27(39-3)31(26(32(29)41-28)16-10-7-5-2)33(37)40-21-22-13-11-8-12-14-22/h8,11-14,18-20,36H,4-7,9-10,15-17,21H2,1-3H3 |
| InChIKey |
CGVFOMPANXGZRX-UHFFFAOYSA-N |
| Molecular Weight |
574.670 g/mol |
| SMILES |
Oc1cc(c2C(Oc3c(c(CCCCC)c(c(c3)OC)C(OCc3ccccc3)=O)Oc2c1)=O)CC(=O)CCCCC |
| SPLASH |
splash10-054o-9400000000-6abc52c02a5d0c3c74aa |
| Source of Spectrum |
B-28-855-0 |
| Wiley ID |
1408075 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3-hydroxy-8-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester](/api/spectrum/B0rftxCEnT6/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3-hydroxy-8-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester")
