| CAS Number | 1807549-00-3 |
| Catalog Number | AG00IMHC(AGN-PC-0WQURG) |
| Chemical Name | Yoshimulactone Green (YLG) |
| IUPAC Name | ethyl 2-[3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]-6-oxoxanthen-9-yl]benzoate |
| InChI | InChI=1S/C27H20O7/c1-3-31-27(30)19-7-5-4-6-18(19)25-20-10-8-16(28)13-22(20)33-23-14-17(9-11-21(23)25)32-24-12-15(2)26(29)34-24/h4-14,24H,3H2,1-2H3 |
| InChI Key | CHRFZINIRYDHJV-UHFFFAOYSA-N |
| MDL Number | MFCD29472531 |
| Molecular Formula | C27H20O7 |
| Molecular Weight | 456.4435 |
| SMILES | CCOC(=O)c1ccccc1c1c2-c(cc(=O)cc2)oc2c1ccc(c2)OC1C=C(C(=O)O1)C |
| Synonyms | Yoshimulactone Green (YLG),
E1238,
Ethyl 2-[6-[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]-3-oxo-3H-xanthen-9-yl]benzoate,
1807549-00-3,
2-[6-[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]-3-oxo-3H-xanthen-9-yl]benzoic Acid Ethyl Ester,
|
| Complexity | 1000 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.45g/mol |
| Monoisotopic Mass | 456.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number