FLI
Summary
| Name: | (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one |
| Synonyms: | Filipin I |
| Formula: | C35 H58 O9 |
| Formal charge: | 0 |
| Formula weight: | 622.83 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (3R,5E,7E,9E,11E,13E,15S,17R,19R,21R,23S,25S,27S,28R)-28-hexyl-15,17,19,21,23,25,27-heptahydroxy-3,14-dimethyl-2-oxacyclooctacosa-5,7,9,11,13-pentaen-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCCC[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)\C(=C\C=C\C=C\C=C\C=C\C[C@@H](C)OC1=O)C |
| SMILES | CACTVS | 3.352 | CCCCCC[CH]1[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC=CC[CH](C)OC1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCC1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CCC(OC1=O)C)C)O)O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C35H58O9/c1-4-5-6-15-18-32-34(42)24-31(40)22-29(38)20-27(36)19-28(37)21-30(39)23-33(41)25(2)16-13-11-9-7-8-10-12-14-17-26(3)44-35(32)43/h7-14,16,26-34,36-42H,4-6,15,17-24H2,1-3H3/b9-7+,10-8+,13-11+,14-12+,25-16+/t26-,27+,28-,29+,30-,31+,32-,33+,34+/m1/s1 |
| InChIKey | InChI | 1.03 | FODXYXCKUOAJAV-XHDOTJGXSA-N |
