methyl 9-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxynonanoate

Systemtic Name: methyl 9-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxynonanoate Openeye Name: methyl 9-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxynonanoate CAS Name: 9-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[[(2S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-(hydroxymethyl)-2-oxanyl]oxy]nonanoic acid methyl ester IUPAC Name: methyl 9-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate Traditional Name: 9-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-6-methylol-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methylol-tetrahydropyran-2-yl]oxypelargonic acid methyl ester Formula: C28H50O17 MolecularWeight: 658.6864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)OC2CC(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric SMILES

COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2C[C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

InChI

InChI=1S/C28H50O17/c1-39-18(32)8-6-4-2-3-5-7-9-40-27-25(38)23(36)26(17(13-31)44-27)45-19-10-14(20(33)15(11-29)41-19)42-28-24(37)22(35)21(34)16(12-30)43-28/h14-17,19-31,33-38H,2-13H2,1H3/t14-,15-,16-,17-,19+,20-,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1