[(2R,3S,4S,5R,6S)-6-[2,6-dimethyl-3,5-bis(oxidanyl)-4-(phenylcarbonyl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[2,6-dimethyl-3,5-bis(oxidanyl)-4-(phenylcarbonyl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-(4-benzoyl-3,5-dihydroxy-2,6-dimethyl-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-(4-benzoyl-3,5-dihydroxy-2,6-dimethylphenoxy)-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-(4-benzoyl-3,5-dihydroxy-2,6-dimethylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-(4-benzoyl-3,5-dihydroxy-2,6-dimethyl-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C28H28O13 MolecularWeight: 572.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)C)O)C(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C(=C(C(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)C)O)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H28O13/c1-11-19(31)18(21(33)13-6-4-3-5-7-13)20(32)12(2)26(11)41-28-25(37)24(36)23(35)17(40-28)10-39-27(38)14-8-15(29)22(34)16(30)9-14/h3-9,17,23-25,28-32,34-37H,10H2,1-2H3/t17-,23-,24+,25-,28+/m1/s1