Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)O[C@@H]1C[C@]2(C)[C@@]3(CO)CCC(=C[C@H]3O[C@H]1[C@@]24CO4)C |
SMILES | CACTVS | 3.341 | CC(=O)O[CH]1C[C]2(C)[C]3(CO)CCC(=C[CH]3O[CH]1[C]24CO4)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO |
InChI | InChI | 1.03 | InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1 |
InChIKey | InChI | 1.03 | DFPPNUOWRKIOKO-KWRZAIAESA-N |