7AL
Summary
| Name: | Chlorolissoclimide |
| Formula: | C20 H30 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 383.91 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-{(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]-1-hydroxyethyl}pyrrolidine-2,5-dione |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-chloranyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CC2C1(C(C(C)(C)CC(C1)Cl)CC(O)\C2=C)C)C3CC(NC3=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | LCBZIVZSFYGPBC-LWHFJPTFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@H](Cl)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12 |
| SMILES | CACTVS | 3.385 | CC1(C)C[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C |
