WU4
Summary
| Name: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one |
| Formula: | C28 H37 N3 O |
| Formal charge: | 0 |
| Formula weight: | 431.613 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)C\C=C(/C)C)nc6C(C)(C)C4C5 |
| InChI | InChI | 1.03 | InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1 |
| InChIKey | InChI | 1.03 | OMTRTWVJZBEAAJ-AEQSLLNGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@@]23C[C@@H]4C(C)(C)c5[nH]c6c(CC=C(C)C)cccc6c5C[C@]4(CN12)NC3=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[C]23C[CH]4C(C)(C)c5[nH]c6c(CC=C(C)C)cccc6c5C[C]4(CN12)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC23N1CC4(Cc5c6cccc(c6[nH]c5C(C4C2)(C)C)CC=C(C)C)NC3=O |
