| SpectraBase Spectrum ID |
3Kq0vY7jmxR |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-propyl |
| CAS Registry Number |
113689-49-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24O8 |
| InChI |
InChI=1S/C23H24O8/c1-4-6-13(24)8-12-9-14(29-3)10-17-19(12)23(28)31-18-11-16(25)20(22(26)27)15(7-5-2)21(18)30-17/h9-11,25H,4-8H2,1-3H3,(H,26,27) |
| InChIKey |
BPLOIYJGDMQIBX-UHFFFAOYSA-N |
| Molecular Weight |
428.437 g/mol |
| SMILES |
OC(c1c(cc2c(c1CCC)Oc1c(C(O2)=O)c(cc(c1)OC)CC(=O)CCC)O)=O |
| SPLASH |
splash10-001i-0089000000-b25b39cd9b7ab6ab62bf |
| Source of Spectrum |
B-40-2036-5 |
| Synonyms |
Loxodellonic acid
[8-hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-propyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid] |
| Wiley ID |
1380676 |
