Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1 |
InChIKey | InChI | 1.03 | NGOLMNWQNHWEKU-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O |
SMILES | CACTVS | 3.385 | COC(=O)[C]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)CC2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C |