JHH
Summary
| Name: | Cyclostreptin |
| Formula: | C24 H34 O5 |
| Formal charge: | 0 |
| Formula weight: | 402.524 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/C24H34O5/c1-9-7-13-17(21(26)11(3)20(13)25)16-12(9)8-14-18(16)19-22-10(2)15(28-23(19)27)5-6-24(14,4)29-22/h7,10-22,25-26H,5-6,8H2,1-4H3/t10-,11+,12+,13-,14-,15+,16+,17+,18-,19-,20+,21-,22-,24+/m1/s1 |
| InChIKey | InChI | 1.03 | ABHXDOVMRGJWAK-HQNRQHHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](O)[C@@H]2C=C(C)[C@@H]3C[C@@H]4[C@H]([C@@H]3[C@H]2[C@@H]1O)[C@@H]5[C@@H]6O[C@@]4(C)CC[C@H](OC5=O)[C@H]6C |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](O)[CH]2C=C(C)[CH]3C[CH]4[CH]([CH]3[CH]2[CH]1O)[CH]5[CH]6O[C]4(C)CC[CH](OC5=O)[CH]6C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C2CCC3(C4CC5C(C4C(C1O3)C(=O)O2)C6C(C=C5C)C(C(C6O)C)O)C |
