Details of Graecunin-E
| IUPAC | 2-[6-[4,5-dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)O)C)C)C)OC1 |
| Inchi | QBFOXISCLSPTBT-UHFFFAOYSA-N |
| PubChem ID | 156783 |
| Smiles | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
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| Class | Spirostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |