WOZ
Summary
| Name: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one |
| Formula: | C27 H24 O7 |
| Formal charge: | 0 |
| Formula weight: | 460.475 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(O)cc2OC3(C)Cc4cc5c(c(O)c4C(O3)c21)C(=O)c1c(cc(O)cc1O)C5(C)C |
| InChI | InChI | 1.06 | InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m0/s1 |
| InChIKey | InChI | 1.06 | MDUGEFRGUDVHQH-BDYUSTAISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)cc2O[C@]3(C)Cc4cc5c(c(O)c4[C@@H](O3)c12)C(=O)c6c(O)cc(O)cc6C5(C)C |
| SMILES | CACTVS | 3.385 | Cc1cc(O)cc2O[C]3(C)Cc4cc5c(c(O)c4[CH](O3)c12)C(=O)c6c(O)cc(O)cc6C5(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc2c1[C@H]3c4c(cc5c(c4O)C(=O)c6c(cc(cc6O)O)C5(C)C)C[C@@](O2)(O3)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc2c1C3c4c(cc5c(c4O)C(=O)c6c(cc(cc6O)O)C5(C)C)CC(O2)(O3)C)O |
