N-[(2R,3S,4S,5R,6S)-6-methoxy-2-methyl-4-oxidanyl-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-oxan-3-yl]-1-(4-methoxyphenyl)methanimine oxide

Systemtic Name: N-[(2R,3S,4S,5R,6S)-6-methoxy-2-methyl-4-oxidanyl-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-oxan-3-yl]-1-(4-methoxyphenyl)methanimine oxide Openeye Name: N-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]-1-(4-methoxyphenyl)methanimine oxide CAS Name: N-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]-3-oxanyl]-1-(4-methoxyphenyl)methanimine oxide IUPAC Name: N-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-3-yl]-1-(4-methoxyphenyl)methanimine oxide Traditional Name: N-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]-1-(4-methoxyphenyl)methanimine oxide Formula: C49H47NO15 MolecularWeight: 889.89518

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)[N+](=CC7=CC=C(C=C7)OC)[O-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)/[N+](=C/C7=CC=C(C=C7)OC)/[O-]

InChI

InChI=1S/C49H47NO15/c1-30-38(50(56)28-31-24-26-36(57-2)27-25-31)39(51)41(48(58-3)60-30)65-49-43(64-47(55)35-22-14-7-15-23-35)42(63-46(54)34-20-12-6-13-21-34)40(62-45(53)33-18-10-5-11-19-33)37(61-49)29-59-44(52)32-16-8-4-9-17-32/h4-28,30,37-43,48-49,51H,29H2,1-3H3/b50-28-/t30-,37-,38-,39+,40-,41-,42+,43-,48+,49+/m1/s1