NSC119913
7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: NCI60_000473|MLS-0111619.0001|7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|7-methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|ipa|7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|7-methyl-2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)-3-bicyclo[2.2.1]hept-5-enecarboxylic acid|7-methyl-2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|7-methyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid|7-methyl-3-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid|Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.10526 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.10526 |
| Monoisotopic Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 200348-48-7 |
|---|---|
| SMILES | CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O |
| InChIKey | BSAMRWOMXJWVCE-UHFFFAOYSA-N |
Product Overview
NSC119913 (CAS 200348-48-7), with molecular formula C22H18O7 and molecular weight 394.10526 g/mol. IUPAC: 7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.