0CC
Summary
| Name: | Andiconin D |
| Formula: | C25 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 394.503 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H30O4/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(20)26/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1 |
| InChIKey | InChI | 1.03 | IUSHUGXYEUUODT-ZLRFBPIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@@H]2CC[C@@]34C[C@@]5(C)C=C6C(=O)OC[C@@]36[C@@](C)(C[C@H]4[C@@]2(C)C=CC1=O)C5=O |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[C]34C[C]5(C)C=C6C(=O)OC[C]36[C](C)(C[CH]4[C]2(C)C=CC1=O)C5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C2CCC34CC5(C=C6C3(COC6=O)C(C5=O)(CC4C2(C=CC1=O)C)C)C)C |
