| SpectraBase Spectrum ID |
J8G4JENbflU |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.126382279 u |
| Formula |
C22H22O9 |
| InChI |
InChI=1S/C22H22O9/c1-9-7-14(27-5)13(8-23)20-15(9)22(26)31-19-11(3)17(29-12(4)24)16(21(25)28-6)10(2)18(19)30-20/h7,23H,8H2,1-6H3 |
| InChIKey |
VLRGXFMNURCFQP-UHFFFAOYSA-N |
| Molecular Weight |
430.409 g/mol |
| SMILES |
C=12C(C(OC=3C(O2)=C(C(=C(OC(=O)C)C3C)C(=O)OC)C)=O)=C(C)C=C(C1CO)OC |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-, methyl ester](/api/spectrum/J8G4JENbflU/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-, methyl ester")
