[(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetyloxy-2-methyl-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methoxybenzoate

Systemtic Name: [(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetyloxy-2-methyl-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetoxy-5-hydroxy-2-methyl-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,3R,4S,5R)-2-[[(2S,3S,4S,5S)-3-acetyloxy-5-hydroxy-2-methyl-4-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetyloxy-5-hydroxy-2-methyloxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetoxy-5-hydroxy-2-methyl-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C21H28O11 MolecularWeight: 456.44042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(CO1)O)OC2C(C(C(CO2)O)O)OC(=O)C3=CC=C(C=C3)OC)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)OC(=O)C3=CC=C(C=C3)OC)OC(=O)C

InChI

InChI=1S/C21H28O11/c1-10-17(30-11(2)22)18(15(24)9-28-10)32-21-19(16(25)14(23)8-29-21)31-20(26)12-4-6-13(27-3)7-5-12/h4-7,10,14-19,21,23-25H,8-9H2,1-3H3/t10-,14+,15-,16-,17-,18-,19+,21-/m0/s1