[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxy-oxan-3-yl]oxy-5-[4,4-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxy-oxan-3-yl]oxy-5-[4,4-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2S,3S,4S,5R,6R)-2-allyloxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-5-(4,4-dimethyl-2,6-dioxo-1-piperidyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxy-3-oxanyl]oxy]-5-(4,4-dimethyl-2,6-dioxo-1-piperidinyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2S,3S,4S,5R,6R)-2-allyloxy-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]oxy-5-(2,6-diketo-4,4-dimethyl-piperidino)tetrahydropyran-2-yl]methyl ester Formula: C49H59NO15 MolecularWeight: 901.99046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OCC=C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N6C(=O)CC(CC6=O)(C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCC=C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N6C(=O)CC(CC6=O)(C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C49H59NO15/c1-7-23-57-48-46(65-47-41(50-39(54)24-49(5,6)25-40(50)55)44(62-33(4)53)43(61-32(3)52)38(63-47)30-58-31(2)51)45(60-28-36-21-15-10-16-22-36)42(59-27-35-19-13-9-14-20-35)37(64-48)29-56-26-34-17-11-8-12-18-34/h7-22,37-38,41-48H,1,23-30H2,2-6H3/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/s1