KLC
Summary
| Name: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one |
| Formula: | C24 H44 O8 |
| Formal charge: | 0 |
| Formula weight: | 460.601 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | InChI | 1.06 | QYFLRYFPHHCRNA-WFGCVQBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](CO)\C=C(C)/[C@@H]1C[C@H](C[C@H](O)C(C)(C)[C@@H](O)CCC[C@@H](OC)[C@H](O)C(=O)O1)OC |
| SMILES | CACTVS | 3.385 | CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@H](CCC[C@H]([C@@H](C(=O)O1)O)OC)O)(C)C)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CO)C=C(C)C1CC(CC(C(C(CCCC(C(C(=O)O1)O)OC)O)(C)C)O)OC |
