| SpectraBase Spectrum ID |
3yuW6dfU0W |
| Name |
Benzoic acid, 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)-, methyl ester |
| CAS Registry Number |
54302-52-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38O9 |
| InChI |
InChI=1S/C31H38O9/c1-6-8-10-12-20(32)16-23-28(30(34)38-5)24(33)18-26(37-4)29(23)40-25-17-22(36-3)15-19-14-21(13-11-9-7-2)39-31(35)27(19)25/h14-15,17-18,33H,6-13,16H2,1-5H3 |
| InChIKey |
RRJNRHGOCQACEY-UHFFFAOYSA-N |
| Molecular Weight |
554.636 g/mol |
| SMILES |
Oc1cc(c(c(c1C(=O)OC)CC(=O)CCCCC)Oc1c2C(OC(=Cc2cc(OC)c1)CCCCC)=O)OC |
| SPLASH |
splash10-0kn9-0002690000-773d03c6c41113efd984 |
| Source of Spectrum |
B-27-2409-7 |
| Synonyms |
2'-O-methyl-.alpha.-collatolate
Methyl 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)benzoate |
| Wiley ID |
1406205 |
![Benzoic acid, 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)-, methyl ester](/api/spectrum/3yuW6dfU0W/structure.png?h=300&w=458 "Benzoic acid, 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)-, methyl ester")
