RCG
Summary
| Name: | (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide |
| Synonyms: | Rocaglamide Rocaglamide A |
| Formula: | C29 H31 N O7 |
| Formal charge: | 0 |
| Formula weight: | 505.559 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},3~{S},3~{a}~{R},8~{b}~{S})-6,8-dimethoxy-3~{a}-(4-methoxyphenyl)-~{N},~{N}-dimethyl-1,8~{b}-bis(oxidanyl)-3-phenyl-2,3-dihydro-1~{H}-cyclopenta[b][1]benzofuran-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1 |
| InChIKey | InChI | 1.03 | DAPAQENNNINUPW-IDAMAFBJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c5ccccc5)C(=O)N(C)C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[C]23Oc4cc(OC)cc(OC)c4[C]2(O)[CH](O)[CH]([CH]3c5ccccc5)C(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5 |
