3,12-Dihydroroquefortine
(1S,4S,7S,9R)-4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: 3,12-Dihydroroquefortine|Sturin B|2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethyl)-|(1S,4S,7S,9R)-4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Molecular Formula | C22H25N5O2 |
|---|---|
| Molecular Weight | 391.20084 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.20084 |
| Monoisotopic Mass | 391.20084 |
| Heavy Atoms | 29 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 58735-66-3 |
|---|---|
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N[C@H](C(=O)N3[C@@H]1NC4=CC=CC=C24)CC5=CN=CN5 |
| InChIKey | IQVNREJWRXOHEO-MBXLBGHASA-N |
Product Overview
3,12-Dihydroroquefortine (CAS 58735-66-3), with molecular formula C22H25N5O2 and molecular weight 391.20084 g/mol. IUPAC: (1S,4S,7S,9R)-4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
3,12-Dihydroroquefortine is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »