RDI
Summary
| Name: | RADICICOL |
| Formula: | C18 H23 Cl O6 |
| Formal charge: | 0 |
| Formula weight: | 370.825 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1aR,7aR,8S,11aS,14R,15aR)-8-chloro-14-methyloctahydro-2H-oxireno[e][2]benzoxacyclotetradecine-6,9,11,12(3H,7H,8H,10H)-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2CC(=O)C(Cl)C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O)CC(=O)[C@H]3C(=O)O1 |
| SMILES | CACTVS | 3.341 | C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl)C(=O)CC(=O)[CH]3C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1CC2C(O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1 |
| InChI | InChI | 1.03 | InChI=1S/C18H23ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h9,11,14-17H,2-8H2,1H3/t9-,11-,14-,15-,16?,17+/m1/s1 |
| InChIKey | InChI | 1.03 | AECPBJMOGBFQDN-NIODCRKGSA-N |
