[(4aS,8S,8aS)-8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanylidene-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] ethanoate

Systemtic Name: [(4aS,8S,8aS)-8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanylidene-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] ethanoate Openeye Name: [(4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] acetate CAS Name: acetic acid [(4aS,8S,8aS)-1-methyl-3-oxo-8-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] ester IUPAC Name: [(4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] acetate Traditional Name: acetic acid [(4aS,8S,8aS)-3-keto-1-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] ester Formula: C17H24O11 MolecularWeight: 404.36586

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C

Isomeric SMILES

CC1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C

InChI

InChI=1S/C17H24O11/c1-6-12-8(3-11(20)25-6)10(26-7(2)19)5-24-16(12)28-17-15(23)14(22)13(21)9(4-18)27-17/h5-6,8-9,12-18,21-23H,3-4H2,1-2H3/t6?,8-,9-,12-,13-,14-,15-,16+,17+/m1/s1