Brontisol
2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
| Molecular Formula | C29H35NO8 |
|---|---|
| Molecular Weight | 525.6 g/mol |
| Topological Polar Surface Area | 145.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.23627 |
| Heavy Atoms | 38 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 2169-75-7 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | CHQGYMXXKZPWOI-UHFFFAOYSA-N |
📖 Product Overview
Brontisol (CAS: 2169-75-7) is a chemical compound with molecular formula C29H35NO8 and molecular weight 525.6 g/mol. Its IUPAC systematic name is 2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane.
CHQGYMXXKZPWOI-UHFFFAOYSA-N.
SMILES: CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.
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