0I3
Summary
| Name: | Andilesin C |
| Formula: | C25 H32 O5 |
| Formal charge: | 0 |
| Formula weight: | 412.519 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/C25H32O5/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(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1 |
| InChIKey | InChI | 1.03 | UOLOMGXHYRADOZ-HMAPIXHDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC[C@@]34C[C@@]5(C)C[C@@H]6C(=O)OC[C@@]36[C@@](C)(C[C@@H]24)C5=O |
| SMILES | CACTVS | 3.385 | CC1(C)OC(=O)C=C[C]2(C)[CH]1CC[C]34C[C]5(C)C[CH]6C(=O)OC[C]36[C](C)(C[CH]24)C5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C2CCC34CC5(CC6C3(COC6=O)C(C5=O)(CC4C2(C=CC(=O)O1)C)C)C)C |
