1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]ethanone

Systemtic Name: 1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]ethanone Openeye Name: 1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone CAS Name: 1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]ethanone IUPAC Name: 1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone Traditional Name: 1-[3-[(E)-3,3-dimethylbut-1-enyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone Formula: C20H28O7 MolecularWeight: 380.43212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C=CC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C(C)(C)C

InChI

InChI=1S/C20H28O7/c1-11(22)12-5-6-14(13(9-12)7-8-20(2,3)4)26-19-18(25)17(24)16(23)15(10-21)27-19/h5-9,15-19,21,23-25H,10H2,1-4H3/b8-7+/t15-,16-,17+,18-,19-/m1/s1