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

Systemtic Name: methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxynonanoate Openeye Name: methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxynonanoate CAS Name: 9-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-2-oxanyl]oxy]nonanoic acid methyl ester IUPAC Name: methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-2-yl]oxynonanoate Traditional Name: 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methylol-5-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxypelargonic acid methyl ester Formula: C45H61NO12 MolecularWeight: 807.96534

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)NC(=O)C)OCCCCCCCCC(=O)OC)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCCCCCCCC(=O)OC)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C45H61NO12/c1-31-40(53-28-33-19-11-8-12-20-33)42(54-29-34-21-13-9-14-22-34)43(55-30-35-23-15-10-16-24-35)45(56-31)58-41-36(27-47)57-44(38(39(41)50)46-32(2)48)52-26-18-7-5-4-6-17-25-37(49)51-3/h8-16,19-24,31,36,38-45,47,50H,4-7,17-18,25-30H2,1-3H3,(H,46,48)/t31-,36+,38+,39+,40+,41+,42+,43-,44+,45-/m0/s1