| PDB CCD ID: | D7O |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H22 O5 |
| InChI: | InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11+,16+/m1/s1 |
| InChIKey: | ILHZGEBKECHEND-GDLVEWKHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)[C@H]1C[C@]2(C[C@@H](C1=O)C(=C)C2)C(=O)OC | | CACTVS 3.385 | COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C | | OpenEye OEToolkits 2.0.7 | CC(C)(C)OC(=O)C1CC2(CC(C1=O)C(=C)C2)C(=O)OC | | CACTVS 3.385 | COC(=O)[C@]12C[C@H](C(=C)C1)C(=O)[C@H](C2)C(=O)OC(C)(C)C |
|
| Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{S},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate |
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