SpectraBase Spectrum ID |
8iVrKM7df1Q |
Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl- |
CAS Registry Number |
10142-72-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H32O8 |
InChI |
InChI=1S/C27H32O8/c1-4-6-8-10-17(28)12-16-13-18(33-3)14-21-23(16)27(32)35-22-15-20(29)24(26(30)31)19(25(22)34-21)11-9-7-5-2/h13-15,29H,4-12H2,1-3H3,(H,30,31) |
InChIKey |
VFRGAVOQEJKXDU-UHFFFAOYSA-N |
Molecular Weight |
484.545 g/mol |
SMILES |
OC(c1c(cc2c(c1CCCCC)Oc1c(C(O2)=O)c(cc(c1)OC)CC(=O)CCCCC)O)=O |
SPLASH |
splash10-0006-7720900000-330856fed5e97da03493 |
Source of Spectrum |
B-28-856-0 |
Synonyms |
4-O-methylphysodic acid
8-Hydroxy-3-methoxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid |
Wiley ID |
1396012 |