A1E80
Summary
| Name: | (9~{S},10~{R})-3,4,15,16-tetramethoxy-9,10-dimethyl-tricyclo[10.4.0.0^{2,7}]hexadeca-1(12),2(7),3,5,13,15-hexaene-5,14-diol |
| Synonyms: | Gomisin J |
| Formula: | C22 H28 O6 |
| Formal charge: | 0 |
| Formula weight: | 388.454 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (9~{S},10~{R})-3,4,15,16-tetramethoxy-9,10-dimethyl-tricyclo[10.4.0.0^{2,7}]hexadeca-1(12),2(7),3,5,13,15-hexaene-5,14-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H28O6/c1-11-7-13-9-15(23)19(25-3)21(27-5)17(13)18-14(8-12(11)2)10-16(24)20(26-4)22(18)28-6/h9-12,23-24H,7-8H2,1-6H3/t11-,12+ |
| InChIKey | InChI | 1.06 | PICOUNAPKDEPCA-TXEJJXNPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(O)cc2C[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3c2c1OC |
| SMILES | CACTVS | 3.385 | COc1c(O)cc2C[CH](C)[CH](C)Cc3cc(O)c(OC)c(OC)c3c2c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1Cc2cc(c(c(c2-c3c(cc(c(c3OC)OC)O)C[C@@H]1C)OC)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1Cc2cc(c(c(c2-c3c(cc(c(c3OC)OC)O)CC1C)OC)OC)O |
