| SpectraBase Spectrum ID |
B23fJyf49ya |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
Benzyl 4-O-methylphysodate
benzyl 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate |
| CAS Registry Number |
56484-78-7 |
| 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(39-3)19-28-30(23)34(38)42-29-20-27(36)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 |
QWNUNQFXGKRSHP-UHFFFAOYSA-N |
| Molecular Weight |
574.670 g/mol |
| SMILES |
Oc1c(C(OCc2ccccc2)=O)c(c2c(OC(c3c(O2)cc(cc3CC(=O)CCCCC)OC)=O)c1)CCCCC |
| SPLASH |
splash10-014l-9210840000-34852ac4f97380c812b2 |
| Source of Spectrum |
B-28-856-0 |
| Wiley ID |
1408076 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester](/api/spectrum/B23fJyf49ya/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-, phenylmethyl ester")
