Gossypol tetracetic acid
[8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate
Also Known As: Gossypol tetracetic acid|Gossypol tetra-acetic acid|KST-1B8513|1,1',7,7'-Tetrakis(acetyloxy)-6,6'-dihydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-(2,2'-binaphthalene)-8,8'-dicarboxaldehyde|[8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate|(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',7,7'-tetrakis(acetyloxy)-6,6'-dihydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-|8,8'-Diformyl-6,6'-dihydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-1,1',7,7'-tetrayl tetraacetate|8,8'-diformyl-6,6'-dihydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',7,7'-tetrayl tetraacetate
| Molecular Formula | C38H38O12 |
|---|---|
| Molecular Weight | 686.2363 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.2363 |
| Monoisotopic Mass | 686.2363 |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 773-01-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)OC(=O)C)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)OC(=O)C)O)C(C)C)OC(=O)C)OC(=O)C |
| InChIKey | RNTHCZIQFPASNI-UHFFFAOYSA-N |
Product Overview
Gossypol tetracetic acid (CAS 773-01-3), with molecular formula C38H38O12 and molecular weight 686.2363 g/mol. IUPAC: [8-acetyloxy-7-(1,7-diacetyloxy-8-formyl-6-hydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-1-formyl-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate.