Mollenine A
(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Mollenine A|(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione|(1S,4R,7R,9S)-9-(3-methylbut-2-en-1-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione|(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-3,6-dione|(3R)-4bbeta,5,9b,10-Tetrahydro-3alpha-isobutyl-9bbeta-(3-methyl-2-butenyl)-2-oxa-4a,5-diazaindeno[2,1-a]indene-1,4(3H,10abetaH)-dione
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.6047 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.21 |
| Monoisotopic Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 811.5308 |
Chemical Identifiers
| CAS Number | 205693-72-7 |
|---|---|
| SMILES | CC(C)C[C@@H]1C(=O)N2[C@H](C[C@@]3([C@H]2NC4=CC=CC=C43)CC=C(C)C)C(=O)O1 |
Product Overview
Mollenine A (CAS 205693-72-7), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: (1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.