CAS 138505-45-0 appears in our catalog under these names: Complanatin I, Complanatin I, Complanatin I, ≥98%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 5mg, 5 mg, 1 mg.
[(3S,4R,5R,6S)-4,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] (2E,4E)-5-[(1R,3S,5S,8R)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate (CAS 138505-45-0) is a chemical compound with the molecular formula C43H52O20 and a molecular weight of 888.9 g/mol. IUPAC name: [(3S,4R,5R,6S)-4,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] (2E,4E)-5-[(1R,3S,5S,8R)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate. InChIKey: PUGHVEFZEJLZSW-LTXLENDNSA-N.
| Molecular formula | C43H52O20 |
|---|---|
| Molecular weight | 888.9 g/mol |
| IUPAC name | [(3S,4R,5R,6S)-4,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] (2E,4E)-5-[(1R,3S,5S,8R)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate |
| InChIKey | PUGHVEFZEJLZSW-LTXLENDNSA-N |
| SMILES | C/C(=C\C(=O)O[C@H]1[C@@H]([C@H]([C@@H](OC1OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC)O)OC5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)CO)O)O)/C=C/[C@]6([C@@]7(C[C@@H](C[C@@]6(OC7)C)O)C)O |
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