[(2R,3S,4S,5R,6S)-6-[2-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-5-methyl-3-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-methoxyethanoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[2-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-5-methyl-3-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-methoxyethanoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[2-[3-(2,3-dihydrobenzofuran-5-yl)propanoyl]-3-hydroxy-5-methyl-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(2R,3S,4S,5R,6S)-6-[2-[3-(2,3-dihydrobenzofuran-5-yl)-1-oxopropyl]-3-hydroxy-5-methylphenoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[2-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(2R,3S,4S,5R,6S)-6-[2-(3-coumaran-5-ylpropanoyl)-3-hydroxy-5-methyl-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C27H32O11 MolecularWeight: 532.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2C(C(C(C(O2)COC(=O)COC)O)O)O)C(=O)CCC3=CC4=C(C=C3)OCC4)O

Isomeric SMILES

CC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)COC)O)O)O)C(=O)CCC3=CC4=C(C=C3)OCC4)O

InChI

InChI=1S/C27H32O11/c1-14-9-18(29)23(17(28)5-3-15-4-6-19-16(11-15)7-8-35-19)20(10-14)37-27-26(33)25(32)24(31)21(38-27)12-36-22(30)13-34-2/h4,6,9-11,21,24-27,29,31-33H,3,5,7-8,12-13H2,1-2H3/t21-,24-,25+,26-,27-/m1/s1