| SpectraBase Spectrum ID |
9q1mwQsMW7a |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,9-bis(hydroxymethyl)-3,8-dimethoxy-1,6-dimethyl-11-oxo-, methyl ester |
| CAS Registry Number |
78023-77-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O9 |
| InChI |
InChI=1S/C21H22O9/c1-9-6-13(26-3)11(7-22)18-14(9)21(25)30-19-12(8-23)17(27-4)15(20(24)28-5)10(2)16(19)29-18/h6,22-23H,7-8H2,1-5H3 |
| InChIKey |
LPPUREZNWIXJFD-UHFFFAOYSA-N |
| Molecular Weight |
418.398 g/mol |
| SMILES |
OCc1c2Oc3c(c(CO)c(c(c3C)C(=O)OC)OC)OC(c2c(cc1OC)C)=O |
| SPLASH |
splash10-0400-0509700000-48afa1b870282e05e994 |
| Source of Spectrum |
KC-1981-881-0 |
| Synonyms |
Methyl 4,9-bis(hydroxymethyl)-3,8-dimethoxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
Methyl 4,9-bishydroxymethyl-3,8-dimethoxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-11-one |
| Wiley ID |
1377095 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,9-bis(hydroxymethyl)-3,8-dimethoxy-1,6-dimethyl-11-oxo-, methyl ester](/api/spectrum/9q1mwQsMW7a/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,9-bis(hydroxymethyl)-3,8-dimethoxy-1,6-dimethyl-11-oxo-, methyl ester")
