END
Summary
| Name: | 1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL |
| Formula: | C17 H24 O7 |
| Formal charge: | 0 |
| Formula weight: | 340.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]2C[C@H]3O[C@H]4CC=CCO[C@@H]4[C@@H](O)[C@@H]3O[C@@H]2C=C[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]2C[CH]3O[CH]4CC=CCO[CH]4[CH](O)[CH]3O[CH]2C=C[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C=CCOC2C1OC3CC4C(C=CC(C(O4)CO)O)OC3C2O |
| InChI | InChI | 1.03 | InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | VJZKPEAYONAPBB-MRBBLFKKSA-N |
