G5B
Summary
| Name: | (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
| Formula: | C20 H29 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 402.355 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-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 |
| InChI | InChI | 1.03 | InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | PPKXULKLJJFMKB-RHKPTJIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H](Cl)[C@@H](Cl)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)CC[C@@H]12 |
| SMILES | CACTVS | 3.385 | CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C2CCC(=C)C(C2(CC(C1Cl)Cl)C)CC(C3CC(=O)NC3=O)O)C |
