VF1
Summary
| Name: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
| Synonyms: | BU72 |
| Formula: | C28 H32 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 428.566 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC |
| InChI | InChI | 1.03 | InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1 |
| InChIKey | InChI | 1.03 | RGJHUVJQGAAZLK-GKTFKBBASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](N[C@H]2[C@@]35CCN(C)[C@@H]4Cc6ccc(O)cc56)c7ccccc7 |
| SMILES | CACTVS | 3.385 | CO[C]12C=C[C]34C[C]1(C)[CH](N[CH]2[C]35CCN(C)[CH]4Cc6ccc(O)cc56)c7ccccc7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CC34C=CC1(C(C35CCN(C4Cc6c5cc(cc6)O)C)NC2c7ccccc7)OC |
