| SpectraBase Spectrum ID |
5St9x6uRFlv |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl- |
| CAS Registry Number |
84-24-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O8 |
| InChI |
InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31) |
| InChIKey |
KVTYWHGIZSCFLG-UHFFFAOYSA-N |
| Molecular Weight |
470.518 g/mol |
| SMILES |
OC(c1c(c2c(cc1O)OC(c1c(O2)cc(cc1CC(CCCCC)=O)O)=O)CCCCC)=O |
| SPLASH |
splash10-00dl-7941100000-c6b4754a5f2fcb0b2c4b |
| Source of Spectrum |
SD-1981-0-0 |
| Synonyms |
3,8-Dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acid
1-Amyl-3,9-dihydroxy-6-keto-7-(2-ketoheptyl)benzo[b][1,4]benzodioxepin-2-carboxylic acid
3,9-bis(oxidanyl)-6-oxidanylidene-7-(2-oxidanylideneheptyl)-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
3,9-Dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid
3,9-Dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
Physodalic acid
Physodalin
Physodic acid
CCRIS 5524
NSC 5916 |
| Wiley ID |
1392819 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-](/api/spectrum/5St9x6uRFlv/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-")
